data_2lpi_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 2lpi _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 ' 8' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 120.831 0.348 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.09 -8.97 24.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.318 2.012 . . . . 0.0 111.847 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.453 ' HB2' HD23 ' A' ' 66' ' ' LEU . 5.4 m95 -94.48 3.11 55.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.637 -176.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -70.9 -26.07 63.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.908 0.385 . . . . 0.0 111.014 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.538 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 14.4 t30 -130.95 130.32 22.79 Favored Pre-proline 0 CA--C 1.512 -0.482 0 CA-C-O 121.261 0.553 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.538 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 18.5 Cg_endo -61.7 -37.04 71.38 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 123.389 2.726 . . . . 0.0 111.042 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.78 -38.4 95.88 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.579 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 37.4 tp -73.19 -45.91 53.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.447 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.76 89.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.703 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.74 -44.93 96.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -69.69 -32.1 70.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.85 -52.16 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.465 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.8 OUTLIER -62.17 -35.52 79.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.215 177.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.8 m-80 -60.49 -52.45 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.798 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -69.92 -32.55 70.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.388 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.568 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.7 t80 -55.76 -55.43 32.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.208 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.568 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 48.0 mmm -65.19 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.631 -175.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.2 mt-30 -61.91 -37.05 83.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.89 -36.19 9.37 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.09 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 23' ' ' PHE . 11.5 tp -67.64 -31.19 71.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 p -61.44 -25.88 67.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 111.248 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -101.13 6.69 43.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.547 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 20.8 mmt -83.79 138.27 40.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.66 149.25 33.83 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.787 2.324 . . . . 0.0 111.849 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.09 -32.26 5.87 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.718 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -105.85 -169.47 1.59 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.786 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.519 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.4 t -152.23 171.75 17.47 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.43 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.176 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -61.5 -46.26 90.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.16 -46.45 87.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 110.043 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.3 mt -61.31 -42.09 98.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.218 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.52 -47.28 86.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.96 -39.51 89.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.2 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.164 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.1 m -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.912 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.4 mm -66.25 -36.26 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.191 0.52 . . . . 0.0 110.112 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -57.76 -34.47 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.597 175.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.09 -39.36 89.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.104 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -65.0 -35.27 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 109.747 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.8 mmm -59.86 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.287 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.5 t -62.86 -46.57 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.008 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.35 -37.17 64.61 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -65.64 -42.1 91.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.029 0.442 . . . . 0.0 109.993 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.63 -40.0 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.769 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 13.1 mm100 -56.7 -36.55 69.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.118 0.485 . . . . 0.0 109.962 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -75.07 -44.73 45.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.68 -43.85 85.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.737 0.303 . . . . 0.0 111.185 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.08 -20.15 59.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.821 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.95 -29.93 15.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.64 -177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -89.32 -7.46 55.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.621 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.14 43.81 88.88 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.263 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -128.45 22.76 5.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.647 0.26 . . . . 0.0 111.444 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 m -77.75 68.78 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.349 0.595 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -90.92 155.55 45.03 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.944 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -52.45 -40.53 71.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.863 2.375 . . . . 0.0 113.007 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -67.74 -24.56 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' O ' HD22 ' A' ' 69' ' ' LEU . 12.4 mptt -71.23 -50.69 30.29 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 10' ' ' TRP . 59.9 mt -61.31 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.379 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -57.96 -39.01 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.524 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.51 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD22 ' O ' ' A' ' 65' ' ' LYS . 4.1 mm? -56.05 -35.68 67.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.904 177.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.97 -52.18 61.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 0.0 110.939 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -71.63 -47.25 55.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.779 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -65.68 -39.83 91.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.202 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -58.03 -47.7 82.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.991 0.425 . . . . 0.0 110.705 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.4 87.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.547 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 12.0 p -70.77 -33.55 70.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -175.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.9 m -58.79 -42.11 88.26 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.125 0.488 . . . . 0.0 110.734 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.6 mtm -73.56 -31.88 63.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.223 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.51 89.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.561 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 75' ' ' SER . 46.9 mt-10 -55.46 -40.37 71.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.372 0.606 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 92.4 mt -71.99 -51.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.127 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.04 -32.29 69.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.321 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.092 -176.498 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.237 0.441 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.52 -29.65 69.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.059 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -56.93 -46.9 81.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.117 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.7 m -70.16 -37.89 75.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.46 -54.13 49.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.354 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.1 p -62.75 -38.75 91.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.9 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -66.24 -32.49 73.94 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.547 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 58.8 m -70.35 -41.73 72.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.612 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.571 HG22 ' SD ' ' A' ' 101' ' ' MET . 67.7 mt -57.7 -49.37 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 0.0 110.636 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.41 73.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.074 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -69.5 -40.53 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.86 -37.41 73.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.571 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.9 mtp -62.25 -49.05 77.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.819 0.342 . . . . 0.0 111.344 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 p -67.55 -38.32 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.6 t30 -68.89 -40.77 79.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.064 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.42 93.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.865 0.364 . . . . 0.0 111.295 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.45 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 3.3 t80 -66.87 -32.96 74.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.538 0.685 . . . . 0.0 109.245 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.406 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 10.5 tp -60.9 -30.03 69.93 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.791 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.6 mm-40 -92.75 -27.92 16.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 111.124 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.2 p -81.11 -46.12 15.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -120.89 -23.32 5.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 103.5 -10.74 53.84 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.337 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.05 155.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.14 125.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.645 0.26 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -86.15 113.72 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.474 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.6 tp60 -82.32 -56.59 0.52 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.1 Cg_endo -53.98 -42.67 64.83 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.68 2.253 . . . . 0.0 113.468 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.43 -32.47 72.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.13 0.49 . . . . 0.0 110.165 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.38 -37.41 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 90.8 m-20 -62.61 -40.3 96.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.83 -57.61 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.672 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.6 mp -51.65 -49.97 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.9 p -57.46 -40.47 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -73.03 -36.56 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.617 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.01 -42.25 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.947 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.672 HG21 ' O ' ' A' ' 120' ' ' ILE . 66.0 t -53.01 -58.23 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.808 0.813 . . . . 0.0 109.621 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.6 m -59.85 -31.62 69.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.8 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.4 ttp -78.17 -51.91 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -68.1 -27.42 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.68 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.23 96.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 111.411 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 -178.399 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.6 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 74.5 Cg_endo -77.75 -9.75 17.02 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.405 2.07 . . . . 0.0 112.608 178.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 -5.28 25.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.59 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.73 -9.38 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -138.26 135.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.168 0.509 . . . . 0.0 109.936 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.65 -38.67 30.65 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 C-N-CA 123.018 2.479 . . . . 0.0 111.503 -176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.78 -35.01 89.06 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.933 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 tp -70.18 -40.43 74.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.79 75.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.663 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.79 -34.68 75.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.291 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -72.87 -36.06 67.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.99 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.77 -48.45 80.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.114 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.5 mmt -64.11 -36.19 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -61.97 -53.2 59.0 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.579 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 t -66.69 -34.16 77.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.154 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.91 -49.87 75.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.749 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' A' ' 24' ' ' MET . 2.0 mmt -64.19 -37.99 89.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.784 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.61 -36.76 85.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.298 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.56 -36.39 33.79 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.871 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.5 -29.49 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 111.434 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -70.43 -12.3 61.49 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 110.646 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -93.47 1.74 56.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.149 0.499 . . . . 0.0 109.855 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.5 mmt -102.1 114.9 65.32 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.319 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.83 -1.96 8.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.096 2.531 . . . . 0.0 112.768 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.44 -27.95 73.5 Favored Glycine 0 C--N 1.313 -0.713 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.896 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -118.32 164.2 15.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 110.919 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -113.3 169.98 8.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.165 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.852 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 m -65.41 -43.04 91.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.16 -35.07 79.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.07 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.5 mt -64.14 -45.29 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.511 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.25 -47.39 84.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.8 m-20 -66.1 -39.32 89.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 ttm -65.17 -40.21 94.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 33.0 t -61.53 -37.09 82.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -67.45 -41.37 84.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.797 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 40' ' ' ASP . 42.9 mm -66.62 -37.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 0.0 109.83 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.67 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' SER . 31.1 mm-40 -63.92 -44.06 94.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.388 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -59.41 -34.37 72.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.6 tpp -69.33 -58.56 3.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.33 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.3 t -58.52 -47.31 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.04 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.82 -33.5 75.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.488 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 m -72.94 -39.73 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.03 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.809 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.8 mm-40 -53.11 -39.78 63.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -85.33 -41.78 15.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.979 0.419 . . . . 0.0 110.765 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.71 -45.49 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.78 -20.47 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.36 -34.01 13.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.993 0.425 . . . . 0.0 110.094 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -84.25 0.33 49.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.217 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.91 34.96 78.16 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.819 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.71 6.51 21.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 t -80.97 141.6 34.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.217 0.532 . . . . 0.0 110.796 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.471 ' O ' HD23 ' A' ' 66' ' ' LEU . 32.2 m -156.84 154.06 25.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.21 -35.39 33.89 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.367 2.711 . . . . 0.0 113.476 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.433 HD21 ' C ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -64.16 -38.65 91.83 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.358 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -45.71 79.71 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.11 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.664 -178.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.138 0.494 . . . . 0.0 110.458 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.02 72.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.61 -34.1 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.72 -47.33 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.743 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -71.27 -47.6 55.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.094 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.78 -40.0 86.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.4 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -55.92 -47.65 77.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.646 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.47 71.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.636 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 54.1 p -65.22 -38.24 89.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.698 -175.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.7 m -65.58 -38.2 88.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 111.273 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.87 -35.54 74.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 109.933 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 124' ' ' VAL . . . -60.54 -42.6 96.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.976 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' SER . 44.7 mt-10 -56.54 -45.92 80.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.7 -49.27 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.873 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.6 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.899 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.117 -175.168 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.236 0.381 0 CA-C-O 120.914 0.388 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tt -91.66 -27.35 18.16 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -64.46 -35.72 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.467 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.7 m -67.47 -28.88 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.373 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -66.32 -49.33 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.654 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -59.02 -41.86 88.76 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 m -65.46 -40.57 93.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.926 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.2 m -62.12 -48.81 78.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.526 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -50.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.788 0.328 . . . . 0.0 110.552 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.3 97.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.527 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.3 m -68.72 -34.29 75.38 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.53 55.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.107 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 38.4 mtm -64.89 -42.24 94.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.615 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.4 p -63.6 -41.9 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.193 0.521 . . . . 0.0 110.282 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 12.4 t30 -65.78 -40.92 92.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.872 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.03 90.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HD1' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -58.16 -42.09 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.737 0.78 . . . . 0.0 109.224 174.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.53 -33.59 71.58 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.147 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 55.6 mm-40 -87.26 -32.83 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 111.23 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.3 p -77.27 -61.03 2.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 111.592 -174.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -104.61 -16.81 14.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.745 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.16 -16.14 61.65 Favored Glycine 0 N--CA 1.455 -0.094 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.321 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.433 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 17.4 t -119.79 154.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.79 129.7 73.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -92.72 96.85 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -68.39 -48.95 33.78 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.262 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.7 Cg_exo -52.24 -36.07 66.05 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.167 1.911 . . . . 0.0 113.039 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -67.0 -39.19 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 109.295 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.69 -37.76 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.151 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 8.5 m-20 -57.09 -33.98 67.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.243 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.7 mt-10 -73.53 -43.96 58.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.561 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.7 mp -62.98 -48.33 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.4 p -55.68 -47.19 77.19 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 8.0 mm100 -65.48 -37.37 86.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.1 mp -72.87 -35.9 67.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -57.41 -53.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.035 0.445 . . . . 0.0 109.863 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.1 t -58.3 -47.61 83.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.13 -48.36 73.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.831 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -76.77 -22.42 53.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.953 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.34 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.443 0.64 . . . . 0.0 110.1 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 178.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.3 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 34.6 Cg_endo -66.54 -12.67 36.73 Favored 'Trans proline' 0 N--CA 1.466 -0.089 0 C-N-CA 122.199 1.933 . . . . 0.0 111.764 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.2 5.38 44.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.519 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -75.27 -24.53 57.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.238 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -139.33 132.49 15.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.52 -32.87 88.39 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 C-N-CA 123.495 2.796 . . . . 0.0 111.933 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.42 -32.46 62.25 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.589 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.75 -57.65 5.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.25 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.76 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.38 -47.92 80.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.011 0.434 . . . . 0.0 110.402 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -73.95 -28.5 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.8 -56.58 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -34.73 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.308 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.3 m-80 -57.94 -59.54 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.344 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.0 m -62.65 -36.35 82.56 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.82 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 81.3 t80 -56.73 -54.38 46.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.44 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 1.7 mmt -65.28 -35.67 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.305 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.5 mm-40 -58.44 -50.8 72.42 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.735 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -71.13 -37.93 63.64 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.187 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -58.6 -41.15 85.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.404 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -66.77 -17.94 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -96.76 2.12 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.023 0.44 . . . . 0.0 110.487 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 26.3 mmt -91.67 122.37 65.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.955 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.57 109.93 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.574 2.183 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.64 -38.77 0.58 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.252 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 53.5 m-85 -88.19 -178.6 5.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.218 0.533 . . . . 0.0 110.991 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 t -138.38 164.63 28.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.255 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.72 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.397 0.436 . . . . 0.0 111.671 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -59.93 -43.27 95.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.44 -30.6 64.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.094 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 27' ' ' LEU . 96.9 mt -68.78 -40.42 79.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -51.01 71.6 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.304 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' HG12 ' A' ' 44' ' ' ILE . 39.8 m-20 -64.27 -45.99 85.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.8 ttm -58.1 -42.2 85.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.173 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 26.0 t -62.16 -46.49 88.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.419 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 m -63.65 -41.14 98.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.22 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -66.6 -40.3 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.123 0.487 . . . . 0.0 110.266 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.16 -36.67 73.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.534 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.3 mm-40 -63.95 -34.95 79.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.703 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -59.93 -39.72 86.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.124 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.8 ttm -69.12 -47.57 64.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 94.5 t -56.65 -45.12 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.482 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -61.0 -37.29 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 58.5 m -69.14 -38.25 78.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.46 -37.55 79.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.76 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.1 mm-40 -55.55 -48.17 75.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 0.0 110.054 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.3 m -64.01 -42.56 97.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.977 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 82.3 mt -61.45 -46.23 90.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.287 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.59 -3.38 50.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.07 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 -41.92 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.102 0.477 . . . . 0.0 109.99 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.96 -27.63 26.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.699 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.54 43.31 6.96 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.104 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -105.5 9.19 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 55' ' ' LEU . 1.2 m -82.54 84.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 112.18 -172.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -89.42 158.98 45.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 169.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.8 -24.98 40.7 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.67 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.0 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.045 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 27.0 mmmt -61.42 -49.76 75.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.004 0.431 . . . . 0.0 110.246 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -33.44 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.631 -174.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.08 -42.49 94.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.234 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.35 66.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.3 mt -62.01 -31.97 72.4 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.602 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -53.61 -56.26 18.75 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.529 0.518 . . . . 0.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.19 -45.17 93.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.372 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -65.19 -42.16 93.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.506 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -61.5 -46.21 90.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 -32.96 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.1 p -67.21 -41.42 85.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.77 -29.99 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.048 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.361 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -36.24 82.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.348 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.72 -47.82 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.464 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -20.07 63.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.15 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.053 0.454 . . . . 0.0 110.48 175.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.456 0.646 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.5 -41.41 88.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.756 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -55.46 -35.3 65.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.148 0.499 . . . . 0.0 111.849 -176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.9 m -73.48 -31.42 63.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.383 0.611 . . . . 0.0 110.734 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.5 mtmm -87.68 -37.24 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.302 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 p -54.92 -46.16 74.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.968 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -60.99 -37.45 82.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -62.47 -44.88 95.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.326 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.49 -52.6 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.044 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.97 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.947 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.1 m -64.88 -36.39 84.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 120.792 0.33 . . . . 0.0 110.971 -177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.72 -34.7 34.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.5 ttp -70.28 -44.1 69.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.408 ' O ' HD12 ' A' ' 106' ' ' LEU . 32.2 m -62.07 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.455 0.645 . . . . 0.0 110.133 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.547 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.9 t30 -64.93 -33.27 75.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.56 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -36.56 83.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.504 0.669 . . . . 0.0 109.87 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 102' ' ' SER . 8.5 mp -66.47 -34.41 77.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.767 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.0 mm-40 -73.26 -30.55 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.8 p -92.27 -59.76 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -171.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -119.88 -9.8 9.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.957 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.86 1.39 88.93 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.856 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.17 145.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.67 124.8 70.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.128 0.489 . . . . 0.0 111.354 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -81.23 91.08 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.563 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.428 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.4 tp60 -64.45 -47.62 76.78 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.767 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.4 Cg_exo -47.51 -45.25 23.58 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.519 2.146 . . . . 0.0 113.3 177.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.27 -37.85 71.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.237 0.542 . . . . 0.0 110.022 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.51 -31.64 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.441 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.521 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.3 m-20 -61.95 -39.49 92.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.313 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.445 ' O ' HD13 ' A' ' 123' ' ' LEU . 41.9 mt-10 -64.73 -51.35 62.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.688 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.68 -54.93 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -56.98 -42.99 81.22 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -171.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 76.5 mm-40 -69.58 -38.77 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 0.0 110.454 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.5 mp -69.76 -38.02 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.8 t -53.42 -58.17 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.532 0.682 . . . . 0.0 109.501 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.9 m -54.79 -46.56 74.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.773 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.4 ttp -66.37 -44.79 82.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.44 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -77.91 -25.96 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.845 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.44 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.223 0.535 . . . . 0.0 110.834 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.554 178.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.01 -21.0 72.93 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.892 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.26 12.11 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.278 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 t -62.07 -42.97 99.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.97 140.94 39.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.4 -40.46 57.61 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.086 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.72 -31.97 77.12 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.153 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.79 -58.99 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.23 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.632 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.81 -50.28 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.79 -31.37 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.867 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.11 -50.7 72.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.014 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.51 -35.85 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.723 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 7.2 m-80 -59.4 -56.88 16.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.492 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -65.15 -30.82 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.36 -52.55 65.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.123 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.793 -179.464 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 35.1 mm-40 -56.13 -42.73 77.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.37 -36.48 26.8 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.349 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tp -68.26 -29.34 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.6 0.238 . . . . 0.0 111.595 -175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 p -74.38 2.09 10.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 m -115.59 3.03 13.91 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.199 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.509 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.5 mmt -92.83 138.07 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -175.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.62 160.5 22.04 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.805 2.337 . . . . 0.0 111.672 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.14 -12.74 44.67 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.542 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.55 -168.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.928 0.394 . . . . 0.0 110.543 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -153.49 171.94 17.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.632 0.582 . . . . 0.0 111.967 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -68.7 -46.22 69.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.753 0.311 . . . . 0.0 110.268 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.93 -33.86 76.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.157 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.0 mt -71.73 -43.91 65.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.67 -44.86 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.307 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.3 m-20 -61.94 -45.14 94.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.1 ttm -63.86 -35.99 82.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.514 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 43.6 t -58.94 -47.04 86.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.121 177.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.7 m -65.24 -38.36 90.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 40' ' ' ASP . 41.1 mm -67.98 -39.54 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 109.925 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -60.17 -36.21 77.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.355 176.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -67.09 -32.43 73.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 m -68.27 -34.36 76.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.08 0.467 . . . . 0.0 110.009 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.8 mmm -63.17 -47.81 81.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.811 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.64 -51.23 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.94 -36.93 70.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.756 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -68.69 -37.28 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.8 mm-40 -57.88 -34.47 69.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.198 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -81.32 -44.58 17.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.04 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.41 -39.86 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.459 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -12.93 60.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.566 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.36 -28.97 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.307 0.575 . . . . 0.0 110.042 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.29 -7.5 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.69 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 39.06 84.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.943 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -123.35 25.81 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.625 0.25 . . . . 0.0 111.447 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.56 63.27 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.862 0.839 . . . . 0.0 110.86 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 m -79.68 139.95 54.81 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.344 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.03 -25.4 63.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.59 2.194 . . . . 0.0 112.83 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -69.31 -26.81 64.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.266 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.3 mttm -73.0 -49.51 28.47 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.497 0.665 . . . . 0.0 109.243 174.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.9 -39.91 87.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.289 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.8 tm0? -67.09 -43.0 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.23 71.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.04 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.0 mt -59.32 -34.71 72.66 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 7.2 t30 -52.91 -48.46 67.22 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.191 0.52 . . . . 0.0 111.248 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.6 mtm -71.6 -44.92 63.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.448 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -68.02 -37.19 81.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.016 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.91 -46.15 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.27 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.828 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.8 p -72.87 -34.26 66.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -65.46 -40.01 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.195 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.5 mtm -69.48 -32.66 71.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.084 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.67 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.138 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.0 mt-10 -57.79 -45.03 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.321 0.581 . . . . 0.0 110.405 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -67.58 -48.72 75.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.919 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.02 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 178.574 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 125' ' ' SER . 51.0 tp -55.01 -25.9 33.33 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.076 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -54.38 -39.86 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.883 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 m -77.56 -39.28 46.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -56.43 -49.63 74.01 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.617 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -60.03 -35.47 75.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.517 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 m -73.29 -42.2 62.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.698 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.8 m -61.56 -48.13 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.868 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.572 HG22 ' SD ' ' A' ' 101' ' ' MET . 65.6 mt -59.53 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.633 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.02 -32.36 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.631 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -71.37 -40.26 70.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.292 0.568 . . . . 0.0 109.77 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.75 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.769 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 97' ' ' ILE . 17.6 mtp -67.72 -47.11 70.29 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.769 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -63.5 -43.56 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.164 0.506 . . . . 0.0 110.168 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.619 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 t30 -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.01 177.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.06 86.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.924 0.393 . . . . 0.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.73 -31.66 70.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 109.393 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.05 -28.36 69.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.715 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -88.27 -28.42 21.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.827 0.346 . . . . 0.0 111.401 -176.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -88.71 -36.61 16.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.371 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.2 p -117.33 -36.49 3.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.82 -3.6 57.41 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.56 158.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.28 124.1 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.314 . . . . 0.0 110.577 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -84.17 120.2 25.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.208 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.53 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.9 tp60 -86.23 -53.75 0.42 Allowed Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.6 Cg_endo -52.28 -48.64 20.75 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.891 2.394 . . . . 0.0 114.526 -170.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -71.32 -34.34 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.867 0.365 . . . . 0.0 110.465 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.93 -31.82 55.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.555 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.94 -31.89 73.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -86.44 -51.3 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.425 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.572 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.7 mp -52.96 -49.2 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 122.991 0.182 . . . . 0.0 111.251 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.7 p -54.95 -53.02 60.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -64.87 -40.14 94.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.55 -40.09 77.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 120' ' ' ILE . 77.7 t -56.89 -52.85 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.065 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.434 ' HA ' HD21 ' A' ' 90' ' ' LEU . 7.4 t -61.95 -46.42 89.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 58.6 ttp -61.65 -54.45 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.606 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -66.94 -30.54 70.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.548 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.01 -54.31 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.327 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 56.2 Cg_endo -70.86 -13.07 31.66 Favored 'Trans proline' 0 CA--C 1.525 0.059 0 C-N-CA 122.46 2.107 . . . . 0.0 112.748 -177.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -103.99 15.69 27.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.404 -174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.415 HG23 ' HB ' ' A' ' 8' ' ' THR . 24.1 p -71.4 -39.01 71.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.457 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -132.02 148.75 71.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.631 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.69 -40.17 38.78 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.765 2.31 . . . . 0.0 112.063 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.62 -34.49 87.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.992 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -60.12 4.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.27 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.964 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.32 -55.56 33.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.42 . . . . 0.0 110.384 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -66.18 -33.68 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.155 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.46 -51.87 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.518 ' O ' ' HG2' ' A' ' 24' ' ' MET . 24.0 mmt -65.7 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -62.95 -51.6 66.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.463 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -65.59 -31.26 72.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.797 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.5 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 77.4 t80 -57.66 -52.3 65.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.22 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 20' ' ' MET . 61.6 mmm -65.6 -36.14 82.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.1 -39.03 80.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.545 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -83.96 -40.12 8.94 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.096 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -60.98 -36.94 80.77 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.628 0.371 . . . . 0.0 110.913 -176.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -66.78 -21.25 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.885 0.374 . . . . 0.0 111.529 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -99.82 10.22 41.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.612 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 25.9 mmt -96.31 116.71 66.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.35 110.97 2.98 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.06 1.84 . . . . 0.0 111.109 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.07 -31.97 0.88 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.906 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -102.04 -171.98 2.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.797 0.332 . . . . 0.0 110.295 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -150.66 175.15 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.48 75.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.411 0.445 . . . . 0.0 111.69 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 m -66.23 -44.02 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.655 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.09 -43.01 99.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.89 -38.78 76.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.569 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.44 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.46 -46.73 69.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.758 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.525 ' SD ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -46.57 -53.04 12.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 173.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.3 t -61.92 -37.18 83.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.084 0.469 . . . . 0.0 110.552 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.9 m -70.47 -44.01 68.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.162 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 mm -68.6 -37.08 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.208 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.46 63.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.517 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.9 mm-40 -63.42 -41.14 98.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.884 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.9 m -60.84 -38.06 84.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.642 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.7 tpp -67.69 -49.74 61.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.469 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.7 t -59.89 -46.58 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.12 -28.58 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -73.82 -44.86 54.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.188 0.518 . . . . 0.0 110.242 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.01 -34.71 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.678 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.6 mm-40 -53.93 -45.16 71.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.024 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -72.42 -40.05 67.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.08 -36.48 83.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.564 0.221 . . . . 0.0 111.357 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.01 -14.06 59.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.76 -31.0 13.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.93 -16.73 46.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.884 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.54 32.35 71.28 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -113.58 29.62 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 111.374 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -76.6 80.73 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.617 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -100.34 146.95 32.87 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.55 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.97 -33.01 70.75 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.111 2.541 . . . . 0.0 112.784 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 93.0 m-20 -71.86 -21.07 61.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -76.85 -40.62 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.588 0.708 . . . . 0.0 109.314 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.06 -36.56 69.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.075 -175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -61.91 -32.73 73.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.577 . . . . 0.0 110.421 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 -32.94 66.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.596 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.04 -32.58 74.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.713 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.47 -57.98 9.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.952 0.406 . . . . 0.0 110.561 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtm -59.48 -47.94 83.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.318 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.58 -48.66 80.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.071 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -57.06 -52.46 65.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.05 79.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.898 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 m -70.65 -29.59 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.562 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -69.33 -36.71 77.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.535 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.4 mtm -73.89 -29.63 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.092 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.33 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.888 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.12 -44.57 75.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.03 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.525 HG22 ' SD ' ' A' ' 41' ' ' MET . 70.4 mt -62.77 -52.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.248 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.5 80.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.175 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.047 0.451 . . . . 0.0 110.955 -179.336 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.9 m . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 121.653 0.739 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tt -76.33 -29.26 57.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.436 -174.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 m -59.65 -22.21 61.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.847 0.355 . . . . 0.0 110.829 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.8 m -90.69 -43.34 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.047 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -53.23 -43.57 67.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.534 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -64.89 -18.94 65.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -91.08 -37.95 13.09 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 18.5 m -57.85 -43.08 85.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.504 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.588 HG23 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -59.73 -50.74 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.3 74.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.745 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 t -69.16 -41.58 77.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.29 79.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.588 ' SD ' HG23 ' A' ' 97' ' ' ILE . 30.3 mtp -64.66 -45.1 88.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.732 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' HD11 ' A' ' 106' ' ' LEU . 29.3 m -60.38 -47.33 86.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.205 177.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 39.4 t30 -60.29 -37.61 81.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.049 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.02 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.104 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.56 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 19.4 m-85 -61.37 -39.04 89.19 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.402 0.62 . . . . 0.0 110.577 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.434 HD11 ' O ' ' A' ' 102' ' ' SER . 5.2 mp -59.36 -38.06 79.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.422 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.3 mm-40 -82.58 -29.23 30.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.187 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 p -84.31 -66.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 111.733 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -108.44 -14.03 14.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.457 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.48 6.19 87.78 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.193 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.56 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 t -135.8 143.52 36.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 p -114.65 128.73 71.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 120.999 0.428 . . . . 0.0 111.022 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -89.21 98.18 11.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.487 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -67.39 -46.82 49.21 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.082 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -46.79 -44.14 22.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.542 2.161 . . . . 0.0 113.175 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.65 -40.5 76.46 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.797 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 55.7 mt -65.89 -36.44 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.561 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.0 m-20 -60.5 -36.96 79.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.088 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.4 mt-10 -66.39 -47.52 73.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.498 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.7 mp -57.18 -48.05 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.7 p -58.72 -42.15 88.02 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.454 HE21 ' HA ' ' A' ' 119' ' ' GLU . 22.5 pt20 -78.02 -9.48 59.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.523 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 81.2 mt -94.96 -41.9 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.461 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -53.93 -59.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 O-C-N 123.304 0.377 . . . . 0.0 111.051 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -45.07 89.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.145 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -63.35 -55.63 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.34 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.05 -28.94 69.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.611 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.64 -58.25 3.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.737 0.303 . . . . 0.0 111.664 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.099 -178.38 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.19 -13.02 33.11 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.533 2.155 . . . . 0.0 112.722 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -100.94 15.0 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.05 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -67.73 -64.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.618 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.86 140.37 22.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.053 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.15 -42.76 52.1 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.839 2.36 . . . . 0.0 112.22 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.71 -39.78 97.14 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.585 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.46 -39.51 77.71 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.36 -0.494 . . . . 0.0 110.011 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.9 82.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.612 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.15 -38.21 87.56 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.098 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.403 ' HB3' HG22 ' A' ' 108' ' ' THR . 23.9 m-80 -69.42 -37.12 77.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.419 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.35 -52.02 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 23' ' ' PHE . 19.2 mmt -63.82 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.336 . . . . 0.0 111.466 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.7 m-80 -67.57 -52.62 36.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.631 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -61.61 -32.94 73.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.502 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 20' ' ' MET . 64.0 t80 -54.54 -58.97 5.41 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.695 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.9 tpp -70.61 -32.09 69.31 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.595 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 15.9 mm100 -60.6 -35.35 75.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.019 0.437 . . . . 0.0 110.523 175.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.94 13.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.005 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.63 -31.42 72.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.556 0.217 . . . . 0.0 111.571 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -71.34 -2.44 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.975 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -108.01 2.9 23.52 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.502 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.8 mmt -99.14 136.36 20.54 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.37 164.49 32.57 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.55 2.167 . . . . 0.0 111.768 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.78 -27.79 9.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.659 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.22 161.91 16.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.446 ' CG2' ' HG3' ' A' ' 37' ' ' GLN . 11.3 t -108.58 163.72 12.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 170.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.88 66.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -62.28 -32.86 73.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.095 0.474 . . . . 0.0 111.173 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' CG2' ' A' ' 34' ' ' THR . 74.5 mt-30 -80.85 -40.33 25.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.072 -178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.11 -39.96 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.572 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.16 -42.02 98.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.975 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' O ' HG12 ' A' ' 44' ' ' ILE . 13.5 t70 -66.53 -48.74 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.85 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.5 ttm -58.88 -40.76 85.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.302 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 15.5 t -63.75 -39.68 94.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.399 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -67.84 -42.52 81.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.817 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.0 mm -65.82 -36.98 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.308 0.575 . . . . 0.0 110.13 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.34 74.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.809 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.6 mm-40 -63.99 -33.72 76.37 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -63.73 -42.17 97.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.0 mtp -63.85 -42.03 97.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.066 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 93.8 t -56.61 -50.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.52 177.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.03 -35.94 78.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -66.93 -39.38 87.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.7 mt -74.32 -32.39 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.192 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -53.06 -48.06 67.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 110.423 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.5 m -79.81 -34.36 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.123 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.01 -49.46 75.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.62 7.02 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 -34.37 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.176 0.512 . . . . 0.0 109.743 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.45 -7.39 59.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.701 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.12 24.01 77.49 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.42 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 60' ' ' ARG . 49.1 mtt180 -99.19 18.24 17.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.225 0.536 . . . . 0.0 110.994 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -73.03 105.07 4.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.799 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.456 ' O ' HD21 ' A' ' 66' ' ' LEU . 3.4 m -119.58 149.31 47.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.93 -40.77 49.03 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.961 2.441 . . . . 0.0 113.153 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.25 -35.73 78.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 30.8 mttp -66.82 -40.37 87.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.8 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -69.75 -33.9 73.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 110.093 178.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.3 tt0 -63.31 -40.32 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.92 87.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 88.9 mt -64.79 -29.07 70.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 25.0 t-20 -60.75 -53.57 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.338 0.59 . . . . 0.0 109.995 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.57 -45.01 73.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.871 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -54.51 -46.44 73.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.82 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -58.67 -48.83 79.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.39 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.18 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.623 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.1 p -69.83 -39.0 76.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -61.88 -35.34 78.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.956 0.408 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.0 mtm -75.14 -36.61 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.953 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.28 83.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.467 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.6 -47.09 83.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.409 0.623 . . . . 0.0 110.343 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.5 -38.06 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.684 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . . . -66.6 -17.36 64.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.371 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.74 176.673 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 23.1 t . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 94' ' ' THR . 50.5 tp -70.74 -35.18 72.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.646 0.26 . . . . 0.0 110.356 176.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -53.16 -39.83 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.513 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 m -78.97 -44.03 23.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.768 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 89' ' ' SER . 61.9 mttp -53.46 -51.15 63.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 90' ' ' LEU . 10.2 t -69.69 -10.97 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.671 -175.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 m -95.11 -43.86 7.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.929 0.395 . . . . 0.0 110.415 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.502 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 54.1 m -55.11 -41.08 71.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.617 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.594 HG22 ' SD ' ' A' ' 101' ' ' MET . 68.9 mt -58.43 -47.06 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.02 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.43 99.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.145 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m -67.33 -32.64 73.73 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.0 0.429 . . . . 0.0 110.582 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.47 64.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.575 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.594 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.2 mtp -65.85 -44.48 85.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.402 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 27.0 t -64.35 -40.23 95.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.252 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.495 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 41.5 t-20 -55.36 -48.09 74.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.257 174.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.27 78.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.894 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -66.14 -32.17 73.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.229 0.538 . . . . 0.0 110.412 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 102' ' ' SER . 63.1 mt -73.81 -20.56 60.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.661 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 50.5 mm-40 -97.42 -18.66 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.403 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.1 p -92.32 -65.17 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -34.98 6.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.007 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.61 -11.14 38.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.5 t -111.55 142.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.9 t -103.65 137.36 32.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.087 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -109.52 102.79 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.555 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.2 tp60 -66.57 -49.68 50.13 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 7.8 Cg_endo -49.33 -37.07 39.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.807 2.338 . . . . 0.0 114.142 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -73.4 -24.14 60.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.908 0.385 . . . . 0.0 111.073 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.13 -33.11 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.458 0.646 . . . . 0.0 109.672 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -61.46 -45.63 93.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.541 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.9 mt-10 -62.73 -55.56 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.391 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.53 -48.35 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.696 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 p -58.26 -42.42 86.41 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.17 -40.3 94.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 67.8 mt -70.21 -35.63 74.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.134 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 120' ' ' ILE . 87.0 t -56.84 -59.09 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 121.62 0.724 . . . . 0.0 109.659 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 m -58.97 -25.32 63.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.821 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.6 ttm -82.36 -60.21 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 111.036 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -69.61 -24.79 63.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.332 -172.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.46 98.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.197 0.522 . . . . 0.0 110.881 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.997 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 35.0 Cg_endo -64.74 -17.82 60.66 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.603 2.202 . . . . 0.0 112.944 -176.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -96.23 5.31 51.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.221 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -73.46 -27.71 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 111.042 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -136.43 135.84 21.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.5 Cg_exo -53.65 -43.42 57.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.844 2.362 . . . . 0.0 111.759 173.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.03 -38.19 95.67 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.466 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.9 -40.21 79.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 110.171 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.4 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.673 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 10.2 pt-20 -65.79 -39.68 91.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.167 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.85 -38.29 79.68 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.688 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.41 -47.52 81.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.217 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.499 ' O ' ' HG2' ' A' ' 24' ' ' MET . 25.5 mmt -65.29 -37.37 86.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 6.1 m-80 -58.46 -54.43 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.702 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -67.4 -31.44 71.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.558 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 80.5 t80 -58.11 -55.22 37.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.558 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.9 mmm -64.71 -33.86 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.692 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 57.8 mt-30 -58.08 -49.08 78.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.025 0.44 . . . . 0.0 110.803 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -77.46 -33.1 44.64 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.224 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.416 HD23 ' CE2' ' A' ' 23' ' ' PHE . 13.6 tp -68.8 -32.69 72.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 111.007 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.0 m -97.67 -5.48 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.449 . . . . 0.0 110.231 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.425 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.4 mmt -85.58 133.62 41.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.82 144.87 31.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.573 2.182 . . . . 0.0 112.2 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.35 -26.78 5.7 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -109.37 -170.97 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.389 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.8 t -154.24 168.8 25.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.075 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.11 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.27 0.356 . . . . 0.0 111.74 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -46.12 91.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.101 0.476 . . . . 0.0 110.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -68.8 -38.29 79.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.967 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.4 mt -67.51 -36.1 80.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.77 -46.02 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.275 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' HG12 ' A' ' 44' ' ' ILE . 14.0 t70 -64.81 -43.83 91.86 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.93 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.8 ttm -60.92 -41.1 95.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.863 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 24.7 m -62.68 -41.67 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.069 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.2 m -64.66 -45.5 86.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.2 mm -65.32 -35.8 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.257 0.551 . . . . 0.0 110.075 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -57.68 -36.76 72.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.359 175.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 42' ' ' SER . 24.5 mm-40 -67.69 -37.1 81.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.248 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -61.97 -42.61 99.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 110.045 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.8 mmm -58.82 -50.15 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.5 t -57.72 -49.62 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -57.23 -36.59 71.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.817 0.341 . . . . 0.0 111.57 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -67.57 -45.56 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.549 . . . . 0.0 110.078 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.3 mt -68.37 -33.36 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.187 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.2 mm-40 -51.82 -39.21 58.38 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.004 0.43 . . . . 0.0 110.929 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -92.06 -40.11 11.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.12 -50.52 72.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.412 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.75 -2.21 49.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -175.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.45 -38.15 9.31 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -79.11 0.81 26.57 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.842 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.44 32.61 84.77 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.601 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 96.6 mtt180 -107.88 17.75 22.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.298 0.57 . . . . 0.0 110.785 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.91 80.88 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.167 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -83.4 149.65 58.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.692 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.54 -40.04 29.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.971 2.447 . . . . 0.0 112.714 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.324 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 28.1 mttm -64.79 -44.95 88.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.923 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 26.3 tt0 -62.01 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.433 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HA ' ' CE ' ' A' ' 71' ' ' MET . . . -65.68 -34.52 78.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.884 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 84.5 mt -65.15 -28.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.737 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 9.0 t30 -59.71 -56.25 24.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.152 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 66.8 mtm -62.48 -42.17 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.017 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -58.78 6.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -58.82 -49.75 76.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.638 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.34 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.5 p -70.61 -30.3 66.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.419 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.414 ' HB3' HG21 ' A' ' 44' ' ' ILE . 55.8 m -62.94 -36.83 84.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.852 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.9 mtm -76.64 -33.64 58.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.97 91.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.259 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.56 -43.54 68.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.041 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.6 mt -76.91 -46.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.02 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.52 68.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.076 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.894 178.11 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.74 -35.55 81.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -57.44 -32.51 66.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 m -79.05 -39.23 34.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.062 0.458 . . . . 0.0 110.191 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.15 -43.63 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.455 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -68.48 -29.92 68.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.707 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -84.39 -34.9 23.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.304 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 30' ' ' MET . 3.2 p -66.83 -43.26 84.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.006 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.9 mt -55.97 -48.6 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.408 . . . . 0.0 110.545 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.21 83.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.421 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -73.9 -41.72 61.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.781 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtm -66.16 -45.08 82.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.711 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.2 m -57.58 -45.41 85.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.893 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.57 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 38.4 t30 -64.07 -36.81 85.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.068 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.48 88.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.127 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 33.0 m-85 -58.98 -36.71 75.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.284 0.564 . . . . 0.0 109.927 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.23 -21.01 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.936 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.8 mm-40 -95.58 -16.96 21.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.2 p -103.42 -67.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.844 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 t -104.81 -18.78 14.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.75 -14.97 63.46 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.819 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.521 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.5 t -119.04 145.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.3 t -97.62 133.06 40.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.418 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -97.64 96.46 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 109.943 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.607 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.3 tp60 -65.76 -49.25 60.74 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.263 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -43.22 -47.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.373 2.715 . . . . 0.0 114.272 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -72.68 -42.23 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.26 -31.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.546 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.6 m-20 -61.3 -42.69 99.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.48 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -74.95 -45.26 43.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.23 -51.22 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 122.96 0.163 . . . . 0.0 111.269 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.7 p -57.54 -37.37 72.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.96 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 28.7 mm-40 -67.64 -45.99 73.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.83 -40.06 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.329 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.8 t -52.48 -59.7 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 121.742 0.782 . . . . 0.0 110.164 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 m -54.36 -36.59 64.01 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 113.947 -1.479 . . . . 0.0 112.112 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 56.4 ttp -80.17 -49.46 11.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.973 0.416 . . . . 0.0 111.333 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -70.39 -26.18 63.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.83 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 110.681 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.592 -179.663 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.422 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 35.9 Cg_endo -65.6 -20.99 59.96 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.409 2.073 . . . . 0.0 112.494 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -99.46 23.36 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.08 -49.52 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.827 0.346 . . . . 0.0 111.677 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -122.5 146.53 47.74 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.451 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.6 -51.97 7.99 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 123.167 2.578 . . . . 0.0 112.219 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -28.81 73.66 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.172 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.86 -59.64 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.47 -39.91 70.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.641 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.67 -52.33 64.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.05 -32.41 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.643 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.71 -50.9 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.322 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.67 -36.1 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.6 m-80 -60.17 -52.83 63.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.466 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -69.34 -29.94 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.679 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -57.4 -51.19 70.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.211 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.56 -32.05 72.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.3 mm100 -58.24 -33.06 68.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.101 0.477 . . . . 0.0 111.078 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -92.92 -35.97 6.2 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.113 177.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -63.68 -20.24 65.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.076 0.465 . . . . 0.0 110.968 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -101.06 2.65 40.62 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.846 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.445 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.8 mmt -84.72 125.82 70.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.952 -178.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.69 132.17 21.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.729 2.286 . . . . 0.0 111.93 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.438 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 130.8 -28.46 3.72 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.996 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -108.59 -173.19 2.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.996 0.426 . . . . 0.0 110.759 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 t -153.17 163.16 40.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.19 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.436 0.46 . . . . 0.0 111.594 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -61.22 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.49 -30.24 57.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 0.0 110.274 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 34' ' ' THR . 83.6 mt -71.88 -36.53 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.714 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.63 -55.75 28.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.4 m-20 -63.8 -39.47 94.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.0 ttm -63.11 -37.89 89.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.766 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 48.3 t -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 m -66.98 -34.41 77.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.886 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.1 mm -65.57 -39.78 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 109.85 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.48 71.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.352 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.4 mm-40 -62.87 -35.36 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.646 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -69.67 -20.22 63.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.449 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 tpp -88.24 -57.01 3.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.685 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.46 -52.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.612 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -20.15 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.69 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 t -75.36 -45.37 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.16 -29.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -52.95 -38.7 62.28 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.192 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -97.15 -32.8 11.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.345 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.01 -48.41 80.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.54 -6.82 59.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.697 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.85 -33.18 12.93 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.47 -6.67 56.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.859 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.52 49.87 47.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.202 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -124.98 18.98 8.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 0.0 110.235 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -86.46 98.42 11.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.601 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -100.79 146.67 32.48 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.828 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.26 -31.58 47.06 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.066 2.51 . . . . 0.0 112.413 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.6 -35.38 75.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.927 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 62.8 mttt -71.22 -40.92 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.079 0.466 . . . . 0.0 110.067 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.47 -44.35 87.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.627 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.0 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.745 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.7 mt -66.17 -25.45 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.447 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.424 HD22 ' HB2' ' A' ' 119' ' ' GLU . 22.9 t-20 -49.08 -52.43 25.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.6 0.562 . . . . 0.0 111.718 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.42 -59.19 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.211 -173.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.59 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.762 -173.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -61.39 -48.32 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.991 0.424 . . . . 0.0 110.052 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.34 -47.91 74.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.51 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.645 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 78.5 p -65.96 -38.94 89.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.943 -173.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 m -63.14 -34.93 78.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.6 mtm -74.79 -35.71 62.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -61.7 -40.43 95.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.597 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 75' ' ' SER . 34.3 mt-10 -61.99 -32.24 72.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.765 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.5 mt -77.15 -45.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.456 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.19 -29.15 70.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.942 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.565 178.315 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.236 0.381 0 CA-C-O 120.806 0.336 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.0 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 m -62.94 -34.07 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 m -81.38 -36.04 30.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 110.03 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 45.1 mttt -57.42 -52.21 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.972 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.401 HG21 ' OG ' ' A' ' 125' ' ' SER . 22.9 p -59.94 -44.78 94.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 111.202 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -63.2 -36.65 84.35 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.136 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 74.0 m -63.35 -47.84 80.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.628 HG21 ' SD ' ' A' ' 101' ' ' MET . 61.7 mt -58.96 -49.14 84.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.556 -178.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.19 73.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 t -72.18 -34.37 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 0.0 109.831 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.89 56.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.645 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.628 ' SD ' HG21 ' A' ' 97' ' ' ILE . 24.2 mtp -65.21 -46.16 81.83 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.458 ' O ' HD11 ' A' ' 106' ' ' LEU . 12.4 p -63.92 -46.33 85.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.089 0.471 . . . . 0.0 110.41 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 36.4 t30 -58.17 -41.47 83.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.944 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.001 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -41.67 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.314 0.578 . . . . 0.0 109.995 174.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.458 HD11 ' O ' ' A' ' 102' ' ' SER . 5.8 mp -61.75 -30.93 71.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.566 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 20.0 mm-40 -84.61 -32.27 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.299 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 p -86.46 -43.93 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 111.4 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -119.35 -37.43 3.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.944 0.402 . . . . 0.0 111.368 -174.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.34 -5.55 52.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.39 154.27 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.33 132.07 70.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.273 0.559 . . . . 0.0 111.223 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -84.09 100.9 11.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.944 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.588 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.2 tp60 -68.69 -49.56 28.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.6 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.8 Cg_endo -46.35 -46.31 17.2 Favored 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.192 2.594 . . . . 0.0 114.103 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.404 ' O ' HD13 ' A' ' 120' ' ' ILE . 15.0 m-85 -70.97 -40.25 72.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.535 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.1 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.589 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.7 m-20 -59.69 -48.73 80.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' HB2' HD22 ' A' ' 70' ' ' ASN . 45.0 mt-10 -65.45 -47.94 74.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.226 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.698 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -53.45 -52.21 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 121.32 -0.152 . . . . 0.0 111.114 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.8 p -58.56 -39.57 80.65 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.9 mm-40 -67.86 -45.0 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.274 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.15 -36.74 82.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.419 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -54.16 -58.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.567 0.699 . . . . 0.0 109.781 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.401 ' OG ' HG21 ' A' ' 94' ' ' THR . 58.2 m -55.76 -41.23 73.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.705 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -72.06 -54.48 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.199 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.88 -27.55 69.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.602 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.78 93.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.077 0.465 . . . . 0.0 111.051 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 -178.358 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.402 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 36.4 Cg_endo -66.66 -16.46 50.6 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.637 2.224 . . . . 0.0 112.992 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -91.53 16.16 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.611 0.243 . . . . 0.0 111.163 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -72.39 -37.11 68.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.0 111.586 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.477 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 15.7 t30 -132.99 129.19 20.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.484 0.659 . . . . 0.0 111.18 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 48.4 Cg_exo -51.58 -39.39 65.52 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 123.934 3.09 . . . . 0.0 111.814 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.86 -43.26 99.19 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.086 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 tp -64.95 -44.57 88.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.596 0.236 . . . . 0.0 110.392 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -60.61 -42.5 96.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.56 -58.73 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -56.62 -33.32 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.512 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.78 -50.16 72.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.255 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 25.8 mmt -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.546 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -56.29 16.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.772 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -68.57 -29.7 68.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.951 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.507 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 81.9 t80 -57.45 -50.63 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.355 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.507 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 51.3 mmm -63.8 -35.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.28 -39.8 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.98 -38.91 17.93 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.069 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -62.97 -34.02 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.679 0.391 . . . . 0.0 111.073 -177.237 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.464 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.5 p -69.35 -15.24 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -100.8 8.92 42.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.1 mmt -100.81 115.24 65.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.592 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.61 106.63 2.0 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.617 2.212 . . . . 0.0 112.53 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.12 -37.61 0.41 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.332 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.693 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 66.1 m-85 -96.69 144.55 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.512 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -102.76 171.98 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.44 76.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.559 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -62.72 -40.02 95.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.191 0.519 . . . . 0.0 110.791 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -71.5 -40.25 70.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.877 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' CD1' HD12 ' A' ' 27' ' ' LEU . 5.3 tp -64.2 -40.45 96.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.1 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.62 -38.06 89.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.371 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.2 t70 -66.27 -47.89 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.415 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.513 ' HE1' ' CE1' ' A' ' 33' ' ' PHE . 64.7 mtt -50.54 -54.21 24.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.552 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.3 t -58.65 -42.82 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.341 -174.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 m -67.94 -45.72 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.55 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -64.81 -39.67 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.201 0.524 . . . . 0.0 110.048 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -56.21 -39.75 72.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.438 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 42' ' ' SER . 20.2 mm-40 -65.82 -35.02 79.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.768 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -62.67 -44.67 95.65 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.852 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.5 ppp? -72.5 -31.27 65.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.354 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 84.9 t -67.14 -41.67 87.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.624 0.249 . . . . 0.0 110.539 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 30.3 mm-40 -60.98 -30.18 70.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.027 0.442 . . . . 0.0 110.617 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -70.7 -38.75 73.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.782 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.89 -36.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.766 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.6 mm-40 -50.05 -52.28 35.65 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.389 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -74.07 -37.07 64.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.687 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.416 HD13 ' HD2' ' A' ' 65' ' ' LYS . 30.8 tp -56.43 -50.21 72.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.243 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.81 55.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.76 -33.36 11.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.336 0.588 . . . . 0.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -94.39 1.86 55.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.274 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.04 46.92 93.58 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.521 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -123.66 21.64 9.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.213 0.53 . . . . 0.0 110.258 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -74.61 79.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.211 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -92.4 140.82 24.27 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -51.24 -32.12 39.59 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.011 2.474 . . . . 0.0 113.584 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -59.73 -32.76 70.85 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.071 0.463 . . . . 0.0 110.804 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 10.2 mttm -72.47 -35.78 68.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 109.704 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.43 -34.28 60.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.93 -40.63 96.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.01 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.33 75.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.881 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.0 mt -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.642 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.88 -52.45 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.218 0.533 . . . . 0.0 110.21 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.1 mtm -68.94 -49.33 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -56.53 -48.46 77.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.603 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.83 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 -52.4 62.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.086 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -69.52 -29.37 66.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -67.1 -36.98 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.642 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -77.38 -30.43 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.412 . . . . 0.0 110.183 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.14 -45.18 79.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.422 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 0.0 110.796 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.33 -44.78 90.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.504 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.25 -25.83 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.689 -179.229 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 29.6 t . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.654 0.264 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -47.88 65.32 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t -52.92 -39.62 62.94 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.542 0.526 . . . . 0.0 111.172 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.52 -43.97 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.381 0.61 . . . . 0.0 110.127 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.693 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.6 mtmm -75.98 -38.35 57.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.449 -174.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.254 0.549 . . . . 0.0 110.511 174.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.8 m -70.12 -23.19 62.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.269 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -69.86 -33.06 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG22 ' SD ' ' A' ' 101' ' ' MET . 62.7 mt -71.6 -48.66 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.258 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 p -69.02 -44.67 72.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.358 0.599 . . . . 0.0 110.119 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.94 -36.21 80.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.895 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.586 ' SD ' HG22 ' A' ' 97' ' ' ILE . 25.8 mtp -66.0 -48.25 71.82 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.4 t -59.58 -49.18 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.237 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.624 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 29.7 t30 -60.29 -40.46 90.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.423 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.29 85.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.31 . . . . 0.0 111.487 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.501 0.667 . . . . 0.0 109.313 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.433 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 14.1 tp -61.29 -25.55 67.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.163 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 54.4 mm-40 -94.75 -27.27 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 111.236 -177.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 p -84.75 -58.77 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.726 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 t -103.2 -19.61 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 0.0 110.891 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 95.35 -11.26 69.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 175.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.3 t -127.01 148.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.52 117.6 51.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.56 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -53.18 -53.89 50.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.774 -1.103 . . . . 0.0 113.513 -171.244 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.7 Cg_endo -43.55 -42.75 11.18 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 123.752 2.968 . . . . 0.0 115.337 -171.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -73.65 -23.27 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.146 -0.346 . . . . 0.0 111.552 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.9 mt -73.6 -31.59 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 110.154 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -66.16 -39.22 89.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.691 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.6 -55.17 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.953 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.7 mp -56.79 -47.23 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.624 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.4 p -59.99 -43.11 95.37 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -69.23 -36.62 77.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.59 -41.33 79.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.994 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' ILE . 83.8 t -57.94 -50.96 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 t -56.35 -42.74 78.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.166 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 49.3 ttp -77.06 -52.82 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.048 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.38 -26.03 65.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.95 -53.61 53.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 0.0 111.038 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.828 0.347 . . . . 0.0 111.042 -178.325 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.51 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 4.6 m . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.51 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.0 Cg_endo -57.68 -14.18 16.5 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.917 2.412 . . . . 0.0 113.142 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -100.43 19.5 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.072 0.463 . . . . 0.0 109.89 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -70.08 -33.95 72.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.481 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -147.14 150.42 38.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.541 -175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 52.8 Cg_exo -53.73 -50.39 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.968 2.445 . . . . 0.0 111.543 173.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.66 41.89 2.59 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.959 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.98 -55.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.16 -42.02 65.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.614 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.56 -35.35 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.526 -177.345 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -64.77 -37.69 88.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.018 0.437 . . . . 0.0 110.178 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.73 -50.44 72.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.866 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.73 -35.6 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.741 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -62.56 -54.21 43.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -64.7 -31.36 72.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.617 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 63.8 t80 -58.94 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.511 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.483 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 5.2 mmt -66.68 -40.67 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.996 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.25 -31.75 73.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.296 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.54 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.57 -42.15 14.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.396 173.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.45 -36.03 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.045 0.538 . . . . 0.0 111.228 -178.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -72.41 -7.08 47.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.698 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -106.92 0.04 23.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 23.3 mmt -98.08 133.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.301 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.27 143.55 25.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.46 2.107 . . . . 0.0 111.941 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.7 -28.1 6.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.611 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -109.02 -165.84 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -161.41 170.63 19.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.52 68.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.226 0.329 . . . . 0.0 111.479 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -58.87 -46.61 87.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HG3' HG23 ' A' ' 80' ' ' ILE . 1.9 mp0 -64.34 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.119 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.18 -34.02 74.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.641 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.0 -51.26 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.85 0.357 . . . . 0.0 110.29 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 m-20 -62.06 -42.78 99.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.506 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.72 -37.33 86.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.672 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 47.1 t -63.92 -45.01 91.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.4 m -59.53 -44.13 93.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.07 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.4 mm -66.43 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.166 0.508 . . . . 0.0 110.076 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.49 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.577 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.9 mm-40 -66.88 -40.1 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.491 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -61.21 -36.71 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.981 0.42 . . . . 0.0 110.14 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.5 tpp -64.51 -57.2 9.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.9 t -57.26 -46.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.524 -176.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -62.92 -30.5 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 111.616 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -76.55 -31.3 57.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.901 0.381 . . . . 0.0 110.327 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.63 -38.82 79.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.7 mm100 -55.83 -40.14 72.4 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.51 175.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.8 m -70.42 -43.13 70.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.895 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.64 -43.4 93.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.422 0.154 . . . . 0.0 111.313 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.82 61.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.94 0.4 . . . . 0.0 111.624 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.89 -31.83 13.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.392 0.615 . . . . 0.0 109.812 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -85.41 -14.83 45.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.624 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.43 29.11 71.83 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.4 34.76 5.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.208 . . . . 0.0 111.389 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.522 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 1.7 m -65.78 -70.87 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.689 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.436 ' HB2' ' HD2' ' A' ' 63' ' ' PRO . 88.3 p 50.8 160.46 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 124.567 1.147 . . . . 0.0 112.817 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 62' ' ' SER . 42.0 Cg_endo -69.11 -15.74 39.76 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 121.627 1.551 . . . . 0.0 112.116 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.647 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.1 t-20 -74.76 -39.59 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.728 -175.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 61' ' ' THR . 0.8 OUTLIER -69.05 -39.49 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -39.4 92.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.236 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.647 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -68.06 -34.12 75.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.103 0.478 . . . . 0.0 110.286 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.59 -43.3 60.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.572 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.1 mt -60.32 -33.54 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.209 176.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.08 -42.96 73.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.291 0.567 . . . . 0.0 111.024 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.4 mtm -79.49 -44.9 20.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.538 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.53 -31.32 70.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.44 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -64.03 -44.31 92.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 0.0 110.691 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.76 88.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.311 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.3 p -72.21 -36.57 69.2 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -65.66 -38.36 89.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.8 mtm -69.89 -33.96 72.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.159 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.87 83.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.95 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 75' ' ' SER . 68.7 mm-40 -56.93 -45.4 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 0.0 110.293 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.455 HG23 ' HG3' ' A' ' 37' ' ' GLN . 83.9 mt -68.91 -45.71 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.004 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.25 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.652 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.718 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.8 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.766 0.317 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.1 tp -86.31 -26.97 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.971 0.415 . . . . 0.0 110.307 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -57.09 -44.65 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.3 m -76.46 -30.65 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.151 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 89' ' ' SER . 64.6 mttp -61.36 -46.42 90.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.3 p -60.3 -45.09 94.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.817 0.341 . . . . 0.0 111.524 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -34.49 78.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -65.77 -39.84 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.746 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' ' 101' ' ' MET . 68.3 mt -65.32 -43.92 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 0.0 110.059 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.37 89.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.998 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -69.06 -44.2 73.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.022 0.439 . . . . 0.0 110.6 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.66 92.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.963 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.8 mtm -67.32 -44.8 78.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t -57.62 -46.29 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.263 0.554 . . . . 0.0 109.885 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 16.4 t30 -62.26 -39.73 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.04 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.56 81.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.712 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.427 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 17.3 t80 -70.68 -30.57 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.492 0.663 . . . . 0.0 109.349 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.85 -25.97 67.85 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.575 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 48.5 mm-40 -96.77 -12.94 23.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.491 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.7 p -99.17 -31.01 11.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.043 0.449 . . . . 0.0 110.982 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.9 p -123.96 -42.26 2.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.6 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.83 -1.93 38.77 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 t -120.54 156.48 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.43 122.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.673 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -101.56 101.44 12.01 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -78.88 -46.17 1.79 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.23 -50.69 5.29 Favored 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 123.106 2.537 . . . . 0.0 114.363 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.22 -40.72 86.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 31.6 mt -61.97 -37.68 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -60.41 -50.88 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.62 -47.45 84.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.93 -51.94 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.46 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.7 p -58.91 -43.01 90.96 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.34 -30.54 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.116 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 mp -75.53 -37.87 59.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.999 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.5 t -55.47 -52.3 48.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.08 0.467 . . . . 0.0 110.059 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -57.37 -50.35 73.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.974 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.5 ttp -64.29 -49.57 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.788 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -70.81 -28.61 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.18 81.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 111.668 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -176.833 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.446 ' HB ' HG23 ' A' ' 11' ' ' THR . 1.5 m . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.61 -12.81 20.33 Favored 'Trans proline' 0 CA--C 1.526 0.093 0 C-N-CA 122.699 2.266 . . . . 0.0 113.527 -172.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.427 ' CD1' HD12 ' A' ' 69' ' ' LEU . 6.3 m95 -103.59 13.03 34.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.129 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.446 HG23 ' HB ' ' A' ' 8' ' ' THR . 9.5 p -75.74 -54.39 7.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.0 111.243 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.46 135.31 19.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.894 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -64.39 -36.29 45.54 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.417 2.078 . . . . 0.0 111.879 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.29 69.92 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.485 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.82 -46.01 73.06 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.97 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.096 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.75 -52.51 64.73 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.603 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -68.52 -36.76 79.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.378 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -59.53 -50.0 75.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.435 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 18.9 mmt -64.07 -31.27 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.537 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.9 m-80 -68.3 -53.85 21.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.602 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.4 m -63.42 -29.21 70.54 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.019 0.438 . . . . 0.0 110.658 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.58 -51.38 70.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.301 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mmt -71.07 -32.48 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.84 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 55.4 mt-30 -58.2 -33.13 68.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 110.347 176.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -90.25 -40.9 5.66 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.182 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.3 -34.91 74.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.595 0.358 . . . . 0.0 110.842 -177.205 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -69.79 -8.22 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -118.76 12.96 13.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.044 0.45 . . . . 0.0 110.761 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -94.16 138.31 22.6 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.05 139.55 39.49 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.91 2.406 . . . . 0.0 113.009 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.6 -39.94 2.63 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.714 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 95.8 m-85 -88.91 -175.97 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.0 t -156.76 168.37 27.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.942 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.11 68.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -65.87 -37.69 86.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -74.54 -34.91 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.822 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 34' ' ' THR . 91.0 mt -65.15 -39.64 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.63 -49.68 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.773 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.37 -49.38 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.934 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.376 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.9 t -64.56 -36.83 85.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.895 -178.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.2 m -65.46 -41.35 93.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.2 mm -66.61 -37.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.123 0.487 . . . . 0.0 109.845 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB2' ' SD ' ' A' ' 20' ' ' MET . . . -58.09 -38.9 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.549 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.3 mm-40 -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.575 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t -62.19 -37.27 84.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.249 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 mtp -68.57 -48.21 64.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.539 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.2 t -57.54 -47.84 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.962 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -64.37 -26.31 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 t -76.77 -46.92 23.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.71 -30.33 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.136 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.7 mm-40 -50.53 -39.46 49.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.265 176.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -96.94 -37.98 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.83 -42.43 93.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.73 0.3 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.42 -13.27 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.681 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.54 -31.0 15.38 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -83.01 -4.81 58.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.638 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.62 31.96 81.68 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.572 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -110.85 19.09 18.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.526 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 10.0 t -99.72 68.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.342 1.068 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -74.35 159.61 83.26 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.27 -32.36 10.48 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.512 2.808 . . . . 0.0 113.3 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -60.52 -34.41 74.06 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.456 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.558 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -65.7 -45.63 82.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -31.66 71.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.53 -42.71 99.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.64 -48.6 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.788 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 2.7 pp -68.96 -21.51 64.18 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.022 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.519 ' N ' HD11 ' A' ' 69' ' ' LEU . 21.0 t-20 -51.73 -49.24 62.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.207 0.527 . . . . 0.0 109.753 175.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.4 mtm -66.09 -54.06 30.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.389 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 72' ' ' ARG . 30.5 mmt180 -67.23 -30.01 69.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.18 -176.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -61.71 -54.75 38.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.8 82.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.672 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 24.9 p -73.61 -22.61 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.9 p -68.93 -39.27 79.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.332 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.38 -28.7 64.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.124 174.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.9 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' SER . 7.6 mm-40 -54.74 -31.75 58.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.454 0.645 . . . . 0.0 111.033 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.0 mt -93.0 -47.02 13.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.341 -177.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.79 63.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.176 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 111.068 179.149 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.502 ' HB3' ' OG1' ' A' ' 92' ' ' THR . 40.4 t . . . . . 0 C--O 1.235 0.3 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.72 -32.5 73.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.138 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 89' ' ' SER . 28.5 m -65.12 -43.67 91.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.51 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.2 mtmm -81.58 -23.79 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.132 -172.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 p -68.77 -38.65 80.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.4 m -68.35 -38.15 81.16 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.358 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 72.7 m -54.58 -49.48 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.589 177.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.566 HG22 ' SD ' ' A' ' 101' ' ' MET . 66.2 mt -60.5 -49.51 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.59 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.684 -176.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -68.48 -40.42 80.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.47 -36.87 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.669 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.566 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.4 mtp -66.07 -48.6 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.686 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.95 -46.71 88.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.561 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.4 t30 -62.11 -36.6 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.112 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.92 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.228 . . . . 0.0 110.956 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 31.9 m-85 -58.2 -44.1 87.94 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.277 0.56 . . . . 0.0 110.094 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.53 -32.47 74.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.532 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 29.5 mm-40 -73.7 -33.52 64.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 p -96.28 -70.14 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 t -100.48 -17.95 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.745 -173.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.55 -15.13 62.17 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.883 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 5.2 t -115.25 139.82 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -100.97 138.46 25.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.195 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -84.51 110.64 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.5 tp60 -79.31 -51.47 1.25 Allowed Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 9.9 Cg_endo -50.7 -52.88 8.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 123.024 2.483 . . . . 0.0 114.448 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -74.34 -28.12 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.473 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.6 mt -64.73 -31.03 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.986 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -70.41 -18.05 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 22.1 mt-10 -96.48 -53.12 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.608 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.7 mp -49.68 -47.42 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 123.336 0.397 . . . . 0.0 111.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -56.02 -48.69 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -68.74 -34.68 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.491 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.4 mt -66.91 -45.09 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.608 HG21 ' O ' ' A' ' 120' ' ' ILE . 97.6 t -53.45 -52.33 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.002 0.429 . . . . 0.0 110.111 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -57.92 -52.38 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.355 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.22 -47.56 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.727 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -67.94 -37.83 82.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.679 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.55 98.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 111.448 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.714 -176.525 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.524 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 6.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.8 Cg_endo -56.0 -15.59 14.14 Favored 'Trans proline' 0 N--CA 1.476 0.466 0 C-N-CA 123.31 2.673 . . . . 0.0 113.721 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.527 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 8.7 m95 -100.49 3.4 42.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.833 -176.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -67.25 -24.26 65.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.139 0.495 . . . . 0.0 110.735 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.5 t30 -140.98 131.72 13.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.054 177.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 19.0 Cg_endo -63.26 -31.32 74.05 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.441 2.761 . . . . 0.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.77 88.12 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.27 -46.42 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.55 -40.64 83.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.196 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.39 -59.08 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -64.49 -35.77 82.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.42 -48.8 80.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.717 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.0 mmt -64.67 -33.17 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 111.043 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -65.91 -54.53 25.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.813 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -64.05 -31.7 72.99 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.773 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.31 -53.25 59.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.395 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.439 ' HE3' ' HA ' ' A' ' 24' ' ' MET . 2.5 mmt -64.38 -38.08 89.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -56.78 -43.88 81.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.277 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.473 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.69 -35.97 38.94 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.827 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -32.83 74.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.611 0.243 . . . . 0.0 110.836 -176.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 p -72.94 -4.13 30.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.736 0.303 . . . . 0.0 111.744 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -113.56 7.42 17.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.283 0.564 . . . . 0.0 109.842 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.574 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.1 mmt -93.0 145.0 29.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.336 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.26 130.81 9.36 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.822 2.348 . . . . 0.0 111.629 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 133.99 -41.03 1.51 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.648 176.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.87 -171.01 1.82 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 111.523 -175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.545 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 12.1 t -152.89 169.98 21.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.36 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.257 0.348 . . . . 0.0 111.48 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 t -61.77 -43.47 98.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.79 -31.67 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 34' ' ' THR . 95.2 mt -68.17 -39.56 82.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.693 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.95 -47.8 79.83 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.343 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.051 178.424 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.9 ttm -61.7 -43.02 99.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 39.2 t -61.07 -42.54 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.341 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -61.61 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.243 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.8 mm -64.94 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.67 -36.34 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.665 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.2 mm-40 -64.4 -41.74 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.1 p -67.62 -25.2 65.63 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.555 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.481 ' O ' HG13 ' A' ' 52' ' ' ILE . 53.8 mtp -75.09 -50.85 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.235 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.55 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 57.9 t -60.41 -44.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -65.88 -27.09 67.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.797 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.7 m -76.45 -37.1 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.231 0.538 . . . . 0.0 110.135 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 48' ' ' MET . 62.9 mt -71.97 -29.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.317 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.0 mm-40 -54.49 -41.37 69.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.149 0.499 . . . . 0.0 109.911 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -73.02 -38.26 66.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.532 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.14 -42.59 91.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.563 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.895 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.12 26.48 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.721 0.772 . . . . 0.0 108.943 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.63 -13.35 54.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.799 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.39 41.32 96.56 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 23.9 8.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.086 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.9 58.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.559 0.695 . . . . 0.0 110.726 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.9 t -80.76 146.95 61.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.692 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.2 -24.59 11.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.167 2.578 . . . . 0.0 113.041 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 t-20 -68.68 -24.29 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.935 0.397 . . . . 0.0 111.389 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.2 mptt -81.77 -33.96 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 7.0 mp -77.7 -27.26 50.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.07 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -66.13 -33.4 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.371 0.605 . . . . 0.0 109.878 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.74 63.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.116 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.6 mt -74.14 -3.45 29.77 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.962 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -88.81 -61.09 1.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.0 mtm -62.52 -50.27 72.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.605 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.97 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.336 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -59.99 -44.28 94.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.209 0.528 . . . . 0.0 109.837 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.388 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.9 p -71.14 -36.81 72.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.9 m -63.52 -38.09 89.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.851 0.357 . . . . 0.0 110.938 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -71.4 -32.88 68.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.852 0.358 . . . . 0.0 110.19 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.56 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.016 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 75' ' ' SER . 43.6 mt-10 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.586 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.24 -44.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.77 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.29 67.85 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.328 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.274 0 O-C-N 123.612 0.57 . . . . 0.0 111.621 177.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.437 ' O ' HG22 ' A' ' 94' ' ' THR . 56.9 tp -56.31 -38.18 70.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.656 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 p -56.33 -35.44 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.871 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 m -82.76 -37.15 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.445 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 43.8 mttt -59.57 -56.96 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.879 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.5 t -57.68 -39.39 77.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 111.836 -173.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.7 m -68.11 -34.26 76.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.906 0.384 . . . . 0.0 110.957 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 66.2 m -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.577 HG23 ' SD ' ' A' ' 101' ' ' MET . 69.6 mt -58.71 -50.21 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 0.0 110.013 176.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.467 ' HB3' ' CG2' ' A' ' 121' ' ' THR . . . -60.7 -40.05 90.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.635 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -63.27 -39.45 94.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 0.0 110.043 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.73 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.652 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.577 ' SD ' HG23 ' A' ' 97' ' ' ILE . 29.5 mtp -63.63 -46.44 85.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.112 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -58.69 -49.71 76.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.338 0.59 . . . . 0.0 110.047 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.1 t30 -61.22 -41.78 97.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.507 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.38 93.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.5 -31.06 69.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.535 0.684 . . . . 0.0 109.382 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.63 -24.9 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.046 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.8 mm-40 -96.49 -15.87 21.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.559 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -93.14 -58.97 2.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.982 0.42 . . . . 0.0 111.481 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -109.72 -11.66 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.28 61.96 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.074 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.07 157.1 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.18 126.1 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.489 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 20.7 t-20 -107.49 123.79 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.486 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 28.3 tp60 -82.24 -56.96 0.51 Allowed Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.489 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 25.3 Cg_exo -61.1 -30.89 90.01 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.185 1.923 . . . . 0.0 113.995 -167.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -68.14 -30.13 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 0.0 110.069 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.55 -33.05 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.995 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.05 -46.44 84.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.382 176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.422 ' O ' HD11 ' A' ' 123' ' ' LEU . 47.5 mt-10 -58.95 -52.45 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.045 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.645 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -54.49 -53.59 29.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.627 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 4.6 p -59.33 -44.79 92.59 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -173.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -64.86 -32.72 74.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.996 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -77.94 -37.34 47.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.316 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.7 t -52.67 -61.74 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.78 0.8 . . . . 0.0 110.026 175.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 75.4 m -57.88 -37.19 73.51 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.858 -177.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -72.51 -50.47 25.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.398 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -69.35 -24.97 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.71 0.291 . . . . 0.0 111.5 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.476 0.655 . . . . 0.0 110.888 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 125' ' ' SER . 76.6 mm-40 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.037 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 20.3 Cg_endo -61.41 -17.67 54.79 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.839 2.359 . . . . 0.0 112.314 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -89.85 3.95 51.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.947 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -71.74 -27.18 62.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.036 0.445 . . . . 0.0 110.669 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.475 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 9.4 t30 -137.26 129.69 16.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.934 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 10.7 Cg_endo -59.53 -30.33 92.18 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 123.254 2.636 . . . . 0.0 111.825 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.98 94.27 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 tp -70.86 -39.09 73.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.678 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.34 -52.09 66.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.425 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.47 -46.56 88.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.653 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -56.74 -44.22 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -59.92 -48.46 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.678 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 14.1 mmm -68.0 -39.06 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.294 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -59.93 -47.47 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.9 t -68.19 -29.47 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.569 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.8 t80 -59.03 -49.6 77.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.474 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.0 mmm -63.95 -36.34 83.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.768 -176.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.18 -31.24 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.42 -25.43 30.75 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.019 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.533 0.206 . . . . 0.0 111.243 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -67.83 -13.99 62.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.249 0.547 . . . . 0.0 110.986 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -93.83 0.5 56.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.998 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.418 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 20.5 mmt -100.54 120.93 54.74 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.671 -176.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.21 2.18 7.02 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.11 2.54 . . . . 0.0 113.05 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.43 -18.57 73.47 Favored Glycine 0 C--N 1.309 -0.948 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.575 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -126.98 175.26 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.093 0.473 . . . . 0.0 111.067 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 t -125.89 168.73 13.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.604 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.508 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.47 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -60.27 -41.1 92.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.372 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -37.86 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -50.13 73.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.239 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.9 m-20 -64.77 -46.15 83.35 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.458 ' SD ' ' HE2' ' A' ' 23' ' ' PHE . 46.6 ttm -58.83 -44.12 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.611 -175.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 8.2 t -61.27 -45.36 94.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.971 0.415 . . . . 0.0 110.084 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.7 m -65.87 -43.22 88.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.344 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 40' ' ' ASP . 50.9 mm -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.25 0.547 . . . . 0.0 110.137 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 48' ' ' MET . . . -57.7 -39.71 77.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.731 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 13.3 mm-40 -68.62 -25.06 64.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.721 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -64.09 -43.75 94.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.594 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.7 ppp? -75.93 -26.74 57.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.844 0.354 . . . . 0.0 110.132 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 45' ' ' ALA . 80.9 t -65.79 -42.35 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.438 . . . . 0.0 110.379 174.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 13.9 mm100 -68.73 -16.12 63.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -75.36 -42.69 53.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.76 -29.61 47.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -49.18 -51.19 34.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -79.09 -36.48 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.7 -52.26 65.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.629 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.54 -11.64 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.213 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.88 -29.92 13.43 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.087 0.47 . . . . 0.0 109.862 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -89.96 -11.65 41.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 37.87 40.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.614 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -108.86 12.77 25.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -69.64 95.16 0.84 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.766 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -108.52 150.88 41.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.279 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.0 -40.67 58.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.124 2.549 . . . . 0.0 112.496 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -55.77 -43.33 76.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 32.1 mttt -70.21 -41.48 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.506 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.68 -36.67 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -64.22 -34.3 77.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.503 . . . . 0.0 110.09 175.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -72.56 -45.85 57.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.63 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.9 mt -58.2 -32.2 68.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.2 t-20 -53.69 -53.27 54.38 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.526 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 71.9 mtm -74.6 -41.54 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.201 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 7.3 mmm180 -61.87 -41.75 98.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.586 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -58.5 -52.29 66.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.171 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.82 72.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.357 . . . . 0.0 111.666 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.9 p -73.15 -20.74 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 86.7 p -68.79 -41.72 78.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.061 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' A' ' 77' ' ' MET . 4.0 mpp? -71.12 -30.68 66.81 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.74 95.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.218 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -53.15 -43.38 66.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.334 0.588 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 82.1 mt -78.7 -46.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.256 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.9 -21.57 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 179.402 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.282 0.563 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.4 tp -99.47 -36.55 9.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.995 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -67.63 -30.82 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -66.96 -30.1 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.208 0.527 . . . . 0.0 110.082 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 97' ' ' ILE . 52.1 mttp -73.14 -50.07 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.34 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' OG ' ' A' ' 125' ' ' SER . 20.2 p -62.12 -36.93 83.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.55 -177.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 m -67.2 -42.39 84.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.28 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.418 ' HB2' ' CG ' ' A' ' 30' ' ' MET . 8.0 p -72.46 -34.28 67.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.175 -176.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 101' ' ' MET . 73.3 mt -55.52 -49.74 71.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.553 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -67.97 -42.75 80.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.14 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 97' ' ' ILE . 3.4 ttp -67.69 -42.76 81.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.316 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -61.99 -46.65 88.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.307 0.575 . . . . 0.0 109.924 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.58 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.9 t30 -58.98 -38.81 79.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.944 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.58 -26.97 66.54 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.468 0.652 . . . . 0.0 109.494 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 37.4 mt -69.36 -28.98 66.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.623 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.6 mm-40 -92.72 -12.91 30.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 111.191 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -99.68 -39.43 8.27 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -143.28 3.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.616 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.66 71.54 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.487 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 112' ' ' VAL . 20.6 t -131.29 157.27 43.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.415 ' N ' HG13 ' A' ' 111' ' ' VAL . 94.6 t -113.67 107.19 22.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.035 173.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.501 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.9 t-20 -87.3 81.02 8.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -59.67 -47.05 98.45 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.212 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.3 Cg_exo -45.16 -51.04 8.2 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.671 2.247 . . . . 0.0 113.678 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.01 -35.82 72.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.717 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 113' ' ' ASN . 17.5 mt -62.95 -35.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.2 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.602 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 78.2 m-20 -62.68 -47.2 84.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.388 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.7 mt-10 -62.71 -53.99 46.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.809 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.54 -49.06 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.012 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.5 p -59.62 -38.18 80.62 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -66.74 -39.31 87.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 109.942 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 79.8 mt -70.41 -37.87 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.998 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 120' ' ' ILE . 47.9 t -52.46 -61.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.045 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.503 ' OG ' HG21 ' A' ' 94' ' ' THR . 29.0 m -54.07 -45.66 71.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.07 -51.59 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -66.3 -32.6 74.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.82 63.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.771 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.383 -179.178 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 11' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.4 -14.94 42.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 121.628 1.552 . . . . 0.0 111.726 174.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -102.69 10.98 38.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 8' ' ' THR . 8.0 t -60.09 -40.19 88.72 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.219 0.533 . . . . 0.0 111.402 -177.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -132.49 143.66 49.72 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.748 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -57.42 -43.27 53.23 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.127 2.551 . . . . 0.0 112.133 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.8 93.52 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.877 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -57.9 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.48 -46.87 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.049 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 42.6 tt0 -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -77.33 -28.99 53.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -62.44 -58.68 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.512 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.86 -21.31 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.896 -177.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -59.94 -58.51 8.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 172.404 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 p -66.97 -30.54 70.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.517 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.512 ' HB3' ' HA ' ' A' ' 20' ' ' MET . 67.8 t80 -54.45 -52.13 62.81 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.307 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.064 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.01 -33.33 75.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -85.73 -35.21 11.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.029 175.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -61.51 -37.07 82.36 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.233 0.613 . . . . 0.0 110.192 -179.113 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB3' HD21 ' A' ' 38' ' ' LEU . 5.6 p -71.66 -12.59 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -100.62 -0.27 37.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.048 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.6 mmt -92.94 133.2 29.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.908 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -70.29 115.47 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.397 2.065 . . . . 0.0 111.757 174.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.85 -53.51 0.49 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.991 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 54.0 m-85 -83.78 131.84 34.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.372 0.606 . . . . 0.0 112.32 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -84.53 158.6 20.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.569 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.38 70.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.707 0.289 . . . . 0.0 111.528 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -66.11 -35.16 79.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -42.45 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 109.614 175.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 27' ' ' LEU . 8.6 tp -57.25 -42.88 82.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.11 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.77 -43.82 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.332 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.463 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -68.74 -44.58 73.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.759 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -58.75 -40.58 84.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.978 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.62 -36.59 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.416 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -76.59 -38.8 54.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.3 mm -64.55 -38.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.046 0.45 . . . . 0.0 110.228 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -56.5 -32.07 64.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.177 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -64.74 -32.62 74.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 m -64.84 -40.97 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 48.6 tpp -65.63 -45.34 83.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.249 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.7 t -55.56 -50.55 65.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.28 -36.93 78.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.535 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 39.0 m -64.91 -44.61 89.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.182 0.515 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.37 -34.67 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.162 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.19 -45.89 83.34 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -67.6 -37.86 83.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.97 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 51' ' ' SER . 64.4 mt -59.07 -45.25 91.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.755 0.312 . . . . 0.0 111.499 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.32 -23.7 43.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.914 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.95 -30.32 18.89 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.419 0.628 . . . . 0.0 109.479 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HB3' HH11 ' A' ' 60' ' ' ARG . 27.3 mt-30 -94.94 -6.58 42.18 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.77 50.04 67.55 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.948 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.519 HH11 ' HB3' ' A' ' 58' ' ' GLN . 74.7 mtt85 -128.12 16.36 6.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 111.559 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -72.95 111.31 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.151 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HG3' ' A' ' 65' ' ' LYS . 7.8 m -128.66 153.24 79.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.826 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.63 -41.39 74.27 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.139 2.559 . . . . 0.0 113.015 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -65.45 -35.99 82.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.086 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.567 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 24.3 mttp -64.19 -46.45 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.195 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.9 mt -69.0 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.909 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.18 -32.18 68.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 68.7 mt -63.06 -31.86 73.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -55.21 -58.65 6.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.91 -43.05 99.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.51 -45.24 94.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.2 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.54 -47.07 86.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 123' ' ' LEU . . . -62.06 -55.24 31.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.579 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 16.1 p -61.44 -42.11 98.25 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 p -62.24 -39.59 93.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.651 0.262 . . . . 0.0 111.145 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.7 mtm -71.22 -37.65 72.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 110.183 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.07 92.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.498 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 75' ' ' SER . 50.2 mt-10 -56.0 -44.86 79.03 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.026 0.441 . . . . 0.0 110.934 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -62.9 -49.86 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -28.24 69.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.585 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.232 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 24.2 t . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 121.035 0.445 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -35.59 80.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -174.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.6 m -52.19 -31.33 31.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.588 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.3 m -91.0 -33.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.031 0.443 . . . . 0.0 110.78 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.4 mtmm -75.9 -31.66 59.29 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -63.58 -24.88 67.99 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.321 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -87.71 -38.11 16.11 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.766 0.317 . . . . 0.0 111.312 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -64.5 -32.7 74.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.703 -176.409 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.512 HG22 ' SD ' ' A' ' 101' ' ' MET . 71.8 mt -59.05 -52.79 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.476 176.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.04 72.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.554 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -71.29 -40.31 70.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.46 74.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.768 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.512 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.3 mtp -63.87 -41.73 97.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.0 m -61.14 -44.85 96.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.479 0.656 . . . . 0.0 110.024 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -68.21 -35.01 77.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.704 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.95 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 3.4 t80 -65.83 -30.96 71.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 109.463 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.507 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 9.7 tp -63.63 -22.74 67.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.131 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 58.2 mm-40 -96.89 -28.2 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.687 0.279 . . . . 0.0 111.375 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 p -81.63 -54.15 5.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.015 0.436 . . . . 0.0 111.678 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -115.46 -7.88 12.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 80.59 15.26 78.41 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.758 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.6 t -128.41 155.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.1 114.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.425 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 18.1 t-20 -90.12 90.34 8.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.633 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 22.2 tp60 -65.48 -45.61 68.85 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.491 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.3 Cg_endo -44.82 -47.33 11.84 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.335 2.69 . . . . 0.0 113.843 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -71.95 -33.95 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 110.457 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.18 -35.06 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.461 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 24.1 m-80 -61.89 -31.37 71.66 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.42 ' O ' HD21 ' A' ' 123' ' ' LEU . 45.9 mt-10 -75.95 -54.06 7.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -177.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.9 -45.64 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -57.03 -33.51 67.27 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 12.2 mm100 -67.96 -45.55 73.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 74' ' ' ALA . 1.3 mm? -72.04 -30.17 64.91 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.706 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.3 t -60.29 -55.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.182 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.1 t -58.17 -39.38 78.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.527 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.9 mtp -66.05 -66.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.916 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 42.7 m-85 -67.11 -27.23 67.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.246 -170.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.1 -58.62 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.153 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.259 -177.518 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.502 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 14.5 Cg_endo -56.27 -23.57 46.54 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.293 2.662 . . . . 0.0 113.676 -176.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.41 ' HB2' HD23 ' A' ' 66' ' ' LEU . 6.8 m95 -94.88 14.97 19.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.354 -0.216 . . . . 0.0 111.404 -173.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -69.92 -44.02 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 111.665 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -130.84 144.46 53.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.573 0.225 . . . . 0.0 110.869 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 56' ' ' ALA . 51.8 Cg_exo -57.3 -35.46 98.88 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.033 2.489 . . . . 0.0 111.475 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.95 8.76 13.91 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.39 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.93 -57.76 1.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -44.34 -55.47 4.93 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.53 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.21 -44.68 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.221 -175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.16 -36.23 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.752 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -57.54 -46.51 83.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 24.5 mmt -64.79 -38.89 92.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.093 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.599 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 11.6 m-80 -62.49 -53.12 59.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -65.5 -33.08 75.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.847 0.355 . . . . 0.0 110.784 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 20' ' ' MET . 53.0 t80 -55.13 -55.63 28.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.398 174.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.05 -31.06 70.45 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.523 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.7 mt-30 -60.98 -41.78 97.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.241 0.543 . . . . 0.0 110.149 175.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.542 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.74 -40.4 26.58 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.842 177.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.74 -38.98 93.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.494 0.188 . . . . 0.0 111.459 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 p -67.44 -12.88 61.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 m -100.31 -0.36 38.58 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.373 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 19.6 mmt -94.85 127.27 43.85 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.69 120.69 7.07 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.248 1.965 . . . . 0.0 111.585 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.19 -31.74 0.72 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.642 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -102.39 -169.14 1.63 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' HD12 ' A' ' 38' ' ' LEU . 15.3 t -148.05 169.23 20.4 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -38.85 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -63.16 -43.39 98.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.241 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HG3' HG23 ' A' ' 80' ' ' ILE . 2.3 mp0 -66.82 -42.17 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 34' ' ' THR . 7.3 mp -58.99 -44.7 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.755 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.08 -52.82 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.538 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' O ' HG12 ' A' ' 44' ' ' ILE . 18.4 m-20 -66.32 -46.48 76.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.699 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.431 ' SD ' ' HG2' ' A' ' 77' ' ' MET . 52.6 tpp -58.24 -41.41 84.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.988 0.423 . . . . 0.0 110.95 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.1 t -67.34 -38.94 85.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.196 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.4 m -69.72 -41.19 75.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.961 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 40' ' ' ASP . 48.8 mm -63.7 -31.4 52.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.454 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.06 -64.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.431 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 2.5 mp0 -51.4 -36.77 44.98 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.657 174.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.28 -40.28 93.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.591 0.234 . . . . 0.0 111.187 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 3.9 ppp? -80.72 -29.49 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' HA ' ' CG1' ' A' ' 52' ' ' ILE . 83.3 t -67.5 -26.19 35.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.724 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 79.2 mm-40 -58.39 -36.2 73.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.354 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 p -78.92 -22.55 45.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 49' ' ' VAL . 11.5 mm -68.15 -40.42 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -50.12 -48.9 53.28 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 m -73.64 -36.24 65.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.931 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.02 -48.73 79.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.65 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . . . -82.71 -6.15 59.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.584 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.97 -33.59 14.79 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -80.64 -24.09 39.25 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 43.5 28.58 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.579 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 97.3 mtt180 -118.0 11.41 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.718 0.294 . . . . 0.0 111.762 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 p -69.49 105.34 2.59 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.249 0.547 . . . . 0.0 111.499 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.57 ' OG ' ' HG3' ' A' ' 65' ' ' LYS . 37.6 p -121.86 156.12 59.64 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.041 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 47.1 Cg_exo -56.53 -33.35 92.52 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.377 2.051 . . . . 0.0 111.657 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -61.86 -47.23 85.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.189 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 32.2 mttm -65.03 -52.13 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.213 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 62' ' ' SER . 39.8 mt -65.45 -25.8 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER -53.93 -44.11 70.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.267 175.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.168 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.16 -28.98 69.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.63 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.293 0.568 . . . . 0.0 110.682 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.2 mtm -69.49 -40.87 76.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -56.33 -46.28 79.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.599 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.97 -46.27 89.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.07 79.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.057 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 13.5 p -73.21 -35.17 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.419 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 12.1 p -63.52 -39.62 94.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG2' ' SD ' ' A' ' 41' ' ' MET . 69.8 mtm -66.19 -37.89 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.184 175.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.32 89.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.599 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.5 mt-10 -58.79 -37.79 77.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.279 0.562 . . . . 0.0 110.551 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 37' ' ' GLN . 94.0 mt -80.52 -45.9 21.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.86 -14.0 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.961 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.006 0.432 . . . . 0.0 111.209 179.277 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 121.04 0.448 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.34 -34.38 78.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -54.89 -33.84 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.217 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -76.43 -44.17 36.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.003 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -61.42 -53.95 49.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.087 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.8 t -58.59 -38.63 78.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.8 m -66.5 -34.44 77.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.123 0.487 . . . . 0.0 110.55 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.412 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 51.0 m -67.14 -40.96 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.696 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.553 HG21 ' SD ' ' A' ' 101' ' ' MET . 70.6 mt -58.3 -49.49 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.08 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.933 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -71.26 -35.37 71.37 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.54 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.578 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.553 ' SD ' HG21 ' A' ' 97' ' ' ILE . 27.2 mtp -68.22 -44.77 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.78 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -60.49 -47.6 85.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.883 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.6 t30 -61.28 -34.09 74.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.278 177.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.5 -47.43 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.525 0.202 . . . . 0.0 111.451 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.15 -37.41 77.21 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.282 0.563 . . . . 0.0 110.202 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.68 -27.34 67.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.337 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -93.79 -32.98 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.125 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -85.56 -39.36 17.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.646 -173.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.9 p -116.61 -32.3 5.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.54 -6.61 68.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.0 t -122.24 148.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.15 105.22 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.707 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -81.08 94.07 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.394 0.616 . . . . 0.0 109.555 177.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -75.36 -47.99 4.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -44.74 -48.8 10.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.781 2.321 . . . . 0.0 114.163 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HD11 ' A' ' 120' ' ' ILE . 90.8 m-85 -71.99 -26.51 62.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.871 -174.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 mt -67.68 -35.16 71.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.022 0.439 . . . . 0.0 110.398 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.18 -30.96 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.77 -52.05 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.817 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.7 mp -58.97 -49.09 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -54.32 -48.44 71.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.19 -37.09 85.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.42 -42.8 67.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.585 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 120' ' ' ILE . 89.4 t -55.59 -55.97 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.671 0.272 . . . . 0.0 110.764 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 t -57.96 -46.11 85.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.778 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.08 -52.37 49.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.545 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.424 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 25.1 m-85 -67.47 -31.0 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.585 -176.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.13 32.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.738 0.304 . . . . 0.0 111.007 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.333 -179.572 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.3 m . . . . . 0 C--O 1.225 -0.2 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 12.3 Cg_endo -55.28 -26.08 50.36 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 122.715 2.277 . . . . 0.0 113.44 -175.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.432 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 5.8 m95 -111.29 17.11 20.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.448 -174.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' A' ' 8' ' ' THR . 4.6 t -77.22 -30.08 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.971 0.415 . . . . 0.0 111.331 -174.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -131.72 138.47 32.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.641 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 60.0 Cg_exo -53.65 -49.65 16.52 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.009 2.473 . . . . 0.0 111.705 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.07 74.29 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.658 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -71.24 -46.47 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.58 94.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 110.036 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.63 -50.51 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.766 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.444 ' HB3' HG22 ' A' ' 108' ' ' THR . 19.4 m-80 -70.18 -35.94 74.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.28 -51.94 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.62 -38.34 90.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.169 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.05 -60.65 2.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 174.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -66.5 -33.46 75.74 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.249 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 86.6 t80 -60.42 -53.7 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.752 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 24' ' ' MET . 2.2 mmt -66.83 -41.21 87.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.191 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.35 -29.99 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.335 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -84.17 -38.92 9.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.049 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.88 -35.64 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.962 0.505 . . . . 0.0 110.926 -177.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -65.97 -19.33 65.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.016 0.436 . . . . 0.0 111.621 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -99.9 3.68 44.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.384 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.1 mmt -98.12 136.92 20.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.781 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.61 141.41 31.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.359 2.039 . . . . 0.0 111.635 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.5 -28.65 3.1 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.809 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.57 -168.88 1.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.037 0.446 . . . . 0.0 111.689 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.579 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 14.7 t -152.4 175.07 13.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.133 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.02 77.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.553 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t -62.96 -40.59 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.468 . . . . 0.0 110.388 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.8 mp0 -75.22 -34.19 61.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 34' ' ' THR . 85.8 mt -66.79 -34.75 78.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 110.304 177.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.55 -39.86 94.98 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.61 -44.56 70.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.471 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 25.9 mmt -47.43 -52.63 16.38 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.266 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.512 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 56.5 m -60.97 -37.52 82.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.9 m -68.78 -42.72 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.918 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.5 mm -63.86 -40.82 90.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -52.46 -44.73 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.12 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.7 mm-40 -60.85 -41.0 94.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 t -60.77 -44.1 97.2 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.592 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -85.15 -30.4 24.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.902 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.571 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 40.8 t -65.79 -41.49 90.34 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.595 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -60.51 -32.88 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.858 0.361 . . . . 0.0 111.072 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.3 m -65.94 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.347 0.594 . . . . 0.0 109.857 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.61 -35.88 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.864 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.8 mm100 -55.83 -46.13 78.21 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.137 0.494 . . . . 0.0 109.722 174.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -68.52 -43.44 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.18 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 51' ' ' SER . 65.5 mt -51.58 -53.72 35.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.06 9.05 13.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.43 -33.88 6.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.89 -32.35 23.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.391 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.74 38.76 5.43 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -120.48 22.26 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.202 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -78.44 76.06 4.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.456 0.646 . . . . 0.0 110.359 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -101.26 147.08 33.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.349 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.53 -29.77 33.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.893 2.395 . . . . 0.0 112.438 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.28 -39.77 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.743 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.56 -49.92 60.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.48 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -64.51 -25.09 67.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.727 -174.439 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.0 tt0 -63.19 -34.05 76.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.209 0.528 . . . . 0.0 110.283 173.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -43.39 59.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.448 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.42 -36.75 71.76 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.444 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.4 t-20 -53.11 -52.64 58.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 0.0 110.855 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -68.57 -50.85 48.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.139 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.81 -41.45 91.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.768 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -59.37 -41.95 90.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.259 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.41 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.935 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 24.2 p -72.11 -33.91 68.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 p -67.77 -47.48 69.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.595 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.43 ' SD ' HD13 ' A' ' 97' ' ' ILE . 22.2 ptp -64.6 -25.88 68.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.25 -38.36 78.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 75' ' ' SER . 45.8 mt-10 -63.6 -40.57 97.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.318 0.58 . . . . 0.0 110.061 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.6 -39.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.55 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.7 -22.98 63.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.166 0.507 . . . . 0.0 110.589 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 176.633 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.365 0.603 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.7 tp -74.71 -28.84 60.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.494 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.5 m -67.07 -34.8 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -70.76 -41.37 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.236 0.541 . . . . 0.0 109.952 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -63.17 -45.49 91.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.8 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -63.47 -41.51 98.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.911 0.386 . . . . 0.0 111.542 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -71.86 -30.43 65.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 t -60.97 -55.39 33.49 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.026 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.43 HD13 ' SD ' ' A' ' 77' ' ' MET . 86.0 mt -59.14 -44.41 91.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.781 -176.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.68 -21.3 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -81.81 -34.49 30.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.53 47.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.786 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.598 ' SD ' HG12 ' A' ' 117' ' ' ILE . 24.5 ttm -60.67 -50.32 73.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.521 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' HD13 ' A' ' 106' ' ' LEU . 5.4 p -59.57 -47.26 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.609 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -62.06 -34.61 76.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.557 0.217 . . . . 0.0 111.14 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 44.3 m-85 -59.0 -40.67 85.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.511 0.672 . . . . 0.0 110.079 173.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 102' ' ' SER . 7.5 mp -65.86 -30.29 70.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.244 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 28.5 mm-40 -78.6 -22.92 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.636 0.255 . . . . 0.0 111.18 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 18' ' ' ASN . 7.4 p -103.08 -57.92 1.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.853 -172.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -106.04 -36.32 6.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 -172.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.57 -10.68 49.85 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.599 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 3.5 t -116.39 141.44 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.92 133.71 55.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.044 0.45 . . . . 0.0 111.03 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.412 ' O ' HG13 ' A' ' 117' ' ' ILE . 22.5 t-20 -96.44 103.82 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.967 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.618 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -74.66 -47.22 5.35 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.4 Cg_endo -46.51 -49.0 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.231 2.621 . . . . 0.0 114.233 -177.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.24 -35.34 76.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.617 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.598 HG12 ' SD ' ' A' ' 101' ' ' MET . 6.3 mt -63.52 -35.59 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.977 0.418 . . . . 0.0 110.341 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.73 -46.66 88.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.003 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 60.9 mt-10 -64.11 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.779 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.6 mp -56.87 -54.16 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.456 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.0 p -58.73 -39.81 81.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -67.39 -40.46 85.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.761 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.7 mt -66.65 -39.52 88.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.363 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 120' ' ' ILE . 58.0 t -56.99 -52.09 60.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 t -57.16 -38.69 73.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.159 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.4 ttp -79.03 -53.35 7.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.575 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.99 -29.93 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.59 98.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.022 0.439 . . . . 0.0 111.136 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -177.207 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.67 -19.76 67.9 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.904 2.402 . . . . 0.0 113.601 -174.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.418 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 5.8 m95 -97.89 17.03 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.325 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -75.99 -54.43 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.998 0.428 . . . . 0.0 111.264 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.78 135.43 22.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.58 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.5 Cg_exo -53.41 -43.04 60.88 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.968 2.445 . . . . 0.0 112.033 176.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.83 68.94 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.514 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.61 -44.09 24.78 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.493 -0.416 . . . . 0.0 110.03 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.61 84.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.834 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 10.0 pt-20 -63.29 -40.04 96.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.481 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.75 -37.66 70.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.864 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.369 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.415 ' O ' ' HG2' ' A' ' 24' ' ' MET . 22.7 mmt -65.33 -40.31 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.471 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.555 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 14.1 m-20 -62.94 -48.44 78.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.763 0.316 . . . . 0.0 110.969 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -64.68 -33.43 75.93 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 83.9 t80 -57.22 -52.51 65.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.492 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 52.3 mmm -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.985 -177.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 90.2 mt-30 -60.28 -44.66 95.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.0 -36.73 51.28 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.04 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -73.83 -4.49 35.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 111.456 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -99.02 2.79 46.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 110.302 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mmt -104.92 114.97 63.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.848 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.79 105.96 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.295 1.997 . . . . 0.0 112.461 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.61 -34.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.805 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 73.1 m-85 -98.72 150.83 21.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.485 HG23 ' NE2' ' A' ' 37' ' ' GLN . 15.4 t -97.12 171.6 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.753 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.34 84.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -61.9 -31.42 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.259 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.485 ' NE2' HG23 ' A' ' 34' ' ' THR . 1.1 mt-30 -77.79 -42.18 34.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.511 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.72 -37.68 87.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.78 -57.99 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.53 -44.39 97.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.96 -45.98 85.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.201 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.8 t -65.13 -42.82 93.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 110.362 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.6 m -62.75 -44.14 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.4 mm -65.95 -39.48 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.56 -39.54 73.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.285 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' SER . 22.6 mm-40 -68.22 -35.78 78.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.441 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 t -62.41 -41.93 99.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 109.785 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.5 mmm -57.44 -50.22 73.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.807 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 95.3 t -58.22 -48.51 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.315 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -58.46 -36.28 73.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -73.19 -37.79 66.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 109.967 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.37 -29.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -54.37 -45.7 72.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.924 0.393 . . . . 0.0 110.507 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -81.71 -26.94 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 tp -55.91 -48.97 74.7 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.885 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.82 8.98 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.572 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.57 -34.54 9.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -91.03 -4.67 56.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.387 175.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 44.99 90.17 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.386 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -115.02 9.25 15.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -64.11 105.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.538 0.685 . . . . 0.0 110.384 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -138.46 150.78 67.53 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.248 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.11 -29.76 13.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.362 2.708 . . . . 0.0 113.215 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.91 -47.03 86.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.864 0.364 . . . . 0.0 110.975 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.3 mptt -65.13 -41.66 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 109.525 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 1.5 mp -66.53 -28.19 68.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.178 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -47.94 58.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 176.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.37 -33.95 73.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 85.2 mt -83.73 10.9 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -102.41 -54.1 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.7 mtm -63.06 -60.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.856 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.461 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -68.86 -25.4 64.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.284 -175.505 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.99 -50.92 68.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.19 89.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.427 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.507 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.7 p -70.4 -37.88 74.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.714 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.3 mtm -68.03 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HB2' ' N ' ' A' ' 128' ' ' ALA . . . -63.02 -44.74 95.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.289 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 75' ' ' SER . 37.0 mt-10 -63.49 -29.76 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.328 0.585 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.1 -44.56 65.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.001 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 177.79 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.411 ' O ' HG21 ' A' ' 94' ' ' THR . 1.8 tm? -55.69 -34.3 64.94 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.691 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -54.91 -38.79 68.07 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.228 0.537 . . . . 0.0 110.756 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -77.43 -40.79 42.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 55.3 mtpt -65.44 -49.07 70.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.302 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.411 HG21 ' O ' ' A' ' 90' ' ' LEU . 11.0 t -63.24 -30.33 71.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.417 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -82.1 -22.35 36.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 110.677 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 10.8 t -64.48 -49.6 70.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.87 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.47 HG21 ' SD ' ' A' ' 101' ' ' MET . 73.6 mt -53.41 -48.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.316 -177.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.03 88.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.8 m -71.58 -39.36 70.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.348 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.47 ' SD ' HG21 ' A' ' 97' ' ' ILE . 15.5 mtp -63.12 -46.92 85.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.979 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -56.92 -50.13 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.303 0.573 . . . . 0.0 110.027 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.2 t30 -62.57 -42.16 99.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.425 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.34 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.697 0.284 . . . . 0.0 111.727 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 4.8 t80 -65.38 -34.83 79.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.584 0.707 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.89 -36.27 83.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.919 176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -85.9 -6.24 59.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.724 -174.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 p -106.61 -52.38 2.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.017 0.437 . . . . 0.0 110.969 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.2 p -98.56 -32.21 11.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.456 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -5.67 69.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 15.7 t -117.14 157.06 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.0 127.86 71.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.971 0.415 . . . . 0.0 110.41 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -102.18 93.65 5.33 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.553 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.1 tp60 -70.95 -49.91 12.7 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.779 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 3.2 Cg_exo -41.16 -50.41 4.33 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.482 2.788 . . . . 0.0 113.4 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -68.44 -36.27 78.79 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.181 0.515 . . . . 0.0 109.991 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.8 mt -68.0 -42.24 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.587 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.1 m-20 -61.5 -33.71 74.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.09 -44.4 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.611 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.627 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.6 mp -61.55 -45.76 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.9 p -59.01 -36.35 74.79 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 15.0 mm100 -59.48 -42.51 92.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.218 0.532 . . . . 0.0 110.462 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.39 -40.1 51.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.814 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 120' ' ' ILE . 67.3 t -56.76 -62.49 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.152 0.501 . . . . 0.0 110.892 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 -20.7 62.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.116 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.2 ttp -88.32 -53.31 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.453 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 22.2 m-85 -73.96 -20.64 60.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.675 -175.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.441 ' N ' ' HB2' ' A' ' 78' ' ' ALA . . . -65.5 -44.45 86.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.408 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 N--CA 1.445 -0.69 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.09 179.131 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.417 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.5 Cg_endo -64.13 -20.0 66.78 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.817 2.345 . . . . 0.0 113.428 -177.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -91.63 7.24 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -70.89 -62.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.457 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.467 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.8 t30 -103.29 130.73 23.05 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 121.407 0.622 . . . . 0.0 109.88 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 13.8 Cg_endo -60.33 -31.57 92.98 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.234 2.622 . . . . 0.0 111.065 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.38 -33.28 77.04 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.727 175.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.52 -49.84 44.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.98 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -58.84 -53.17 61.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.676 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.99 -31.44 72.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.71 -52.29 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.95 -35.08 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 15.0 m-80 -63.63 -52.26 61.61 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.616 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -64.77 -33.03 75.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.009 0.433 . . . . 0.0 110.579 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.6 -48.76 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.681 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.6 mmt -76.25 -11.99 60.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.237 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 98.4 mt-30 -75.76 -31.22 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.143 0.497 . . . . 0.0 109.928 174.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.74 -39.8 5.15 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.276 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -58.61 -37.94 76.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.713 0.292 . . . . 0.0 110.931 -176.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -70.49 -11.32 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.311 . . . . 0.0 111.754 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m -100.19 -0.58 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.008 0.433 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -96.55 118.78 64.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.34 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.97 123.78 10.71 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.243 1.962 . . . . 0.0 111.606 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.78 -30.13 0.92 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -111.05 141.94 43.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.724 0.297 . . . . 0.0 110.678 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 t -89.3 164.49 14.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.48 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -65.55 -57.61 7.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.504 0.193 . . . . 0.0 110.594 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.02 -35.78 75.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.732 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 27' ' ' LEU . 11.5 tp -58.51 -49.36 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.162 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -62.51 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.476 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.6 m-20 -64.81 -43.84 91.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.518 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.0 ttm -61.37 -41.34 96.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.194 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 38.0 t -62.35 -40.67 97.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.067 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -65.44 -43.56 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.005 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.8 mm -66.46 -36.21 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.313 0.578 . . . . 0.0 110.033 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -58.55 -40.33 82.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.125 174.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.0 mm-40 -67.08 -34.11 76.94 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.006 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -61.71 -44.44 96.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.873 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.0 mmm -61.14 -47.79 84.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.7 t -57.09 -52.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.004 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.55 -33.85 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 21.2 t -67.0 -37.06 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.9 mt -77.34 -30.45 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.431 . . . . 0.0 110.438 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -85.5 -32.24 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.668 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.483 HD12 ' HZ1' ' A' ' 65' ' ' LYS . 13.4 tp -59.42 -51.15 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.082 -177.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.96 0.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.774 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.08 -33.23 8.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -82.41 -25.72 33.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 14.65 63.54 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -84.62 81.44 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 0.0 111.574 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -132.58 156.44 46.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.983 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.506 ' O ' HD22 ' A' ' 66' ' ' LEU . 31.1 t -172.95 144.11 1.17 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.68 -43.28 46.73 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.861 2.374 . . . . 0.0 112.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -74.11 -35.59 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.155 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 0.1 OUTLIER -74.23 -32.3 62.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.733 -177.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 62' ' ' SER . 4.6 mm? -69.65 -34.91 74.67 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.9 tt0 -65.61 -38.9 90.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.912 173.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.82 94.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.2 -32.05 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.397 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 16.3 t-20 -59.57 -57.07 14.53 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.007 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.6 mtm -64.35 -42.19 96.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.062 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -61.66 -44.05 97.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.31 -48.03 83.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.577 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.84 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.696 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 11.3 p -66.14 -35.62 80.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.888 -176.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.627 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 66.8 mtm -70.41 -34.68 72.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.25 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.78 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.218 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 75' ' ' SER . 51.2 mt-10 -62.74 -39.95 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.443 0.64 . . . . 0.0 110.696 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.45 -40.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.531 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.17 -20.23 64.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.876 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 177.144 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.319 0.581 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.62 -29.36 24.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.741 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 t -60.8 -31.99 71.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.139 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.4 m -82.62 -27.89 31.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 0.0 111.063 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -71.92 -35.25 69.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.48 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.5 p -62.02 -48.59 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.228 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -69.46 -27.01 64.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.886 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 t -61.71 -53.63 53.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -42.48 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.4 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.56 92.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 p -69.96 -44.12 70.14 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.285 0.564 . . . . 0.0 110.29 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.71 90.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.908 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.682 ' SD ' HG12 ' A' ' 117' ' ' ILE . 20.4 ttm -63.51 -45.26 91.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 39.5 t -58.54 -39.63 80.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.037 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.594 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.8 t30 -68.14 -38.04 81.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.861 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.87 68.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.917 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.469 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 3.3 t80 -66.54 -28.74 68.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 0.0 109.484 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 102' ' ' SER . 11.5 tp -62.01 -25.49 67.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.792 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 57.8 mm-40 -94.34 -16.83 23.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 p -97.6 -34.73 10.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.7 p -121.24 -38.21 2.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.127 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.56 -11.08 39.02 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.469 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 20.1 t -121.05 158.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.413 HG22 ' HG ' ' A' ' 102' ' ' SER . 41.4 t -108.36 132.32 56.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.659 0.266 . . . . 0.0 110.883 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.05 104.07 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 109.853 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.53 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.3 tp60 -67.54 -54.97 15.85 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.568 -176.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -52.92 -40.79 74.63 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.865 2.377 . . . . 0.0 114.668 -170.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.2 -37.59 72.11 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.507 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.682 HG12 ' SD ' ' A' ' 101' ' ' MET . 4.8 mt -63.9 -37.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.422 . . . . 0.0 109.92 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.572 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 5.9 m-20 -55.02 -50.07 69.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.614 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 41.8 mt-10 -68.36 -52.17 36.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.615 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.551 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.7 mp -54.68 -48.77 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.8 p -58.7 -43.71 90.12 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.4 mm-40 -63.81 -38.36 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 110.387 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 55.1 mt -74.63 -31.68 62.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.821 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 120' ' ' ILE . 89.7 t -62.52 -50.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.437 . . . . 0.0 110.005 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -63.89 -22.49 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.541 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.1 ttm -88.22 -64.74 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.607 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.67 -16.82 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.792 -170.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.09 76.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.276 0.56 . . . . 0.0 110.484 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -178.169 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.7 m . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.5 Cg_endo -56.54 -16.08 17.62 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.769 2.313 . . . . 0.0 113.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.423 ' CZ3' ' HE2' ' A' ' 20' ' ' MET . 5.4 m95 -95.39 12.79 27.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.192 -175.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -71.34 -72.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.95 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 133.4 26.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.418 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.81 -46.48 31.86 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.988 2.459 . . . . 0.0 112.47 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.89 94.71 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.15 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.56 -61.02 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.99 68.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.355 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.37 -45.5 87.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.729 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.05 -31.6 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.523 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.02 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.013 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.492 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.3 OUTLIER -59.81 -37.94 80.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.423 176.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.2 m-20 -60.04 -53.2 60.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.164 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -69.04 -26.64 65.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.211 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 64.5 t80 -59.54 -56.21 24.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.535 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 64.0 mmm -64.03 -33.16 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.863 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.1 mt-30 -58.42 -40.34 82.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.398 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.08 -32.05 13.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -64.97 -36.43 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.405 ' HA ' HD21 ' A' ' 38' ' ' LEU . 13.7 p -67.78 -11.53 58.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 0.0 111.423 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 m -97.31 -4.59 38.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.662 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.52 ' HE3' ' N ' ' A' ' 100' ' ' ALA . 53.9 mtt -94.98 129.79 34.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-O 121.074 0.464 . . . . 0.0 111.466 -174.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.96 126.2 9.19 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.644 2.229 . . . . 0.0 111.888 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.48 -57.83 0.41 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.633 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 98.7 m-85 -87.71 148.11 24.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 37' ' ' GLN . 7.8 t -94.67 168.5 10.8 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.79 65.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.256 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -60.81 -41.68 96.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HG2' HG23 ' A' ' 34' ' ' THR . 7.0 mm100 -69.64 -34.93 74.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.407 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 28' ' ' SER . 9.8 mp -63.2 -41.28 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.5 -45.76 89.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.978 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.1 m-20 -67.16 -44.55 79.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -63.61 -41.26 98.32 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.1 t -61.08 -41.84 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 m -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.95 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.6 mm -66.22 -38.61 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.051 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -57.76 -38.29 75.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.421 176.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 42' ' ' SER . 28.6 mm-40 -63.42 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.443 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 t -65.68 -40.97 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.085 0.469 . . . . 0.0 109.736 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.1 mmm -59.85 -49.4 77.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.471 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.44 -47.68 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.958 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -63.8 -31.49 72.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.608 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -66.89 -46.13 75.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 109.801 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.04 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.656 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.4 mm-40 -53.88 -45.96 71.21 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 110.058 174.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -65.91 -47.74 73.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.8 mt -57.66 -38.03 74.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.4 60.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.705 0.288 . . . . 0.0 111.645 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.7 -31.85 19.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -80.26 -15.32 57.22 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.811 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.35 45.24 48.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.973 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -124.85 14.69 8.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.77 0.319 . . . . 0.0 111.337 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.9 121.45 22.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.008 0.433 . . . . 0.0 110.758 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.5 t -153.05 152.76 28.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.757 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD2' ' OG ' ' A' ' 62' ' ' SER . 10.6 Cg_endo -54.61 -41.6 75.96 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.701 2.268 . . . . 0.0 112.479 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -78.14 -6.02 53.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.22 0.533 . . . . 0.0 110.837 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 62' ' ' SER . 2.6 tpmt? -89.99 -49.68 6.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.301 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 62' ' ' SER . 55.6 mt -68.1 -27.63 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.75 -174.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -56.77 -33.36 66.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.889 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.49 -39.15 74.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.678 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.09 -30.78 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -56.94 -55.88 28.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.045 0.45 . . . . 0.0 110.153 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.49 -44.0 97.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.288 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.23 -46.5 88.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.101 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -57.95 -48.33 80.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.03 71.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.779 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -71.03 -27.77 63.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.1 m -68.06 -41.61 81.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 0.0 110.425 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -73.4 -26.98 61.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.104 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.445 ' HB3' ' N ' ' A' ' 128' ' ' ALA . . . -60.02 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.389 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.27 -26.38 67.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.301 0.572 . . . . 0.0 110.533 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.98 -42.04 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.86 -19.98 65.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.592 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.912 174.474 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 94' ' ' THR . 64.4 tp -54.58 -40.7 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.532 175.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -52.53 -39.85 61.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.733 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -80.02 -38.84 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.253 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 36.9 mtmm -82.2 -39.84 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -170.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 90' ' ' LEU . 13.4 t -65.5 -32.05 73.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.966 -0.459 . . . . 0.0 111.544 -174.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 m -78.5 -27.94 46.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 110.816 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.4 t -58.89 -45.75 89.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.305 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.599 HG21 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -57.03 -46.07 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -63.5 -35.13 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.474 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.9 t -68.47 -39.98 81.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.52 ' N ' ' HE3' ' A' ' 30' ' ' MET . . . -68.61 -36.96 79.37 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.736 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.599 ' SD ' HG21 ' A' ' 97' ' ' ILE . 30.5 mtp -66.22 -47.14 74.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.512 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -59.41 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.144 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.628 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.1 t30 -56.8 -39.39 74.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.359 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.07 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.566 0.222 . . . . 0.0 111.081 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 26.4 m-85 -60.21 -38.34 83.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.01 -28.03 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.944 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.4 mm-40 -90.81 -31.6 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.322 . . . . 0.0 111.026 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 p -89.88 -39.1 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -173.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.4 p -120.66 -37.09 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.67 -3.84 61.24 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.539 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.2 t -120.46 147.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.76 111.6 24.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 0.0 110.271 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.451 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.0 t-20 -80.87 75.46 7.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.557 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.8 tp60 -58.5 -49.18 94.91 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.865 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.1 Cg_endo -50.95 -42.89 50.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.519 2.146 . . . . 0.0 113.17 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.423 ' O ' HD11 ' A' ' 120' ' ' ILE . 66.8 m-85 -89.08 8.99 27.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.714 -177.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' ASN . 15.8 mt -103.36 -40.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 0.0 110.107 173.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 93.3 m-20 -56.51 -43.24 79.55 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.984 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' O ' HD13 ' A' ' 123' ' ' LEU . 31.2 mt-10 -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.35 -174.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.8 mp -61.52 -52.67 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.703 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -59.76 -43.17 94.43 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.8 mm-40 -61.6 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.513 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -75.02 -38.84 61.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.644 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' ILE . 72.4 t -57.24 -56.49 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.671 0.272 . . . . 0.0 110.351 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -59.71 -36.26 76.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.876 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -73.38 -53.68 10.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.421 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.34 -26.03 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.445 ' N ' ' HB3' ' A' ' 78' ' ' ALA . . . -63.57 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.24 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.199 -176.38 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.4 m . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 34.2 Cg_endo -65.73 -11.07 29.05 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.018 2.479 . . . . 0.0 113.961 -175.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -105.38 12.99 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.427 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -72.82 -46.77 51.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.005 0.431 . . . . 0.0 111.583 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -126.46 139.71 35.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.605 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.61 -41.61 67.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.975 2.45 . . . . 0.0 112.468 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.16 92.14 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.082 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 52.2 tp -62.52 -40.63 97.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.01 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.943 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 18' ' ' ASN . 1.5 pt-20 -66.34 -38.49 87.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.125 -177.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.506 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 40.2 m-80 -71.28 -32.79 69.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.737 0.303 . . . . 0.0 110.701 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.06 -50.98 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.18 -40.16 96.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.82 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -53.3 -60.68 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 176.296 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -67.03 -27.01 67.05 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.088 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.7 t80 -58.65 -48.42 81.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.118 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 24' ' ' MET . 0.7 OUTLIER -68.0 -37.5 81.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.902 -179.339 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 13.9 mm100 -56.61 -37.26 70.43 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.537 0.523 . . . . 0.0 110.987 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -31.38 12.44 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.297 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.87 -32.57 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.269 . . . . 0.0 110.738 -177.232 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -71.25 -15.53 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -92.53 -3.47 55.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.063 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -91.24 128.13 48.47 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.65 -0.95 11.0 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 122.86 2.374 . . . . 0.0 112.116 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.14 -26.2 66.94 Favored Glycine 0 C--N 1.312 -0.761 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.909 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -130.49 153.7 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 0.0 111.041 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 11.7 t -100.18 172.68 7.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.918 178.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.68 79.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 t -63.63 -35.78 81.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.607 . . . . 0.0 110.305 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 41' ' ' MET . 63.4 mt-30 -77.21 -29.25 54.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.362 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 34' ' ' THR . 82.2 mt -64.82 -42.78 94.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.197 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.8 -36.6 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.814 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -69.09 -46.06 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 26.1 mmt -50.36 -50.7 50.54 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.987 174.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.2 m -60.11 -39.07 84.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.9 m -66.75 -40.13 88.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.764 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.9 mm -65.58 -41.79 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 0.0 109.766 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -55.26 -41.32 72.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.546 176.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 42' ' ' SER . 23.5 mm-40 -62.79 -36.2 82.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -61.32 -38.89 88.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 52' ' ' ILE . 59.9 mtp -75.94 -48.72 20.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.571 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 98.1 t -56.67 -47.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.526 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.45 -37.36 83.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.8 m -72.86 -36.83 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.997 -177.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 48' ' ' MET . 89.0 mt -69.36 -29.26 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.778 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.5 mm-40 -57.58 -45.23 85.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.271 0.558 . . . . 0.0 109.714 174.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -68.52 -38.84 81.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.37 -35.62 77.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.688 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.96 -18.02 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.87 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.61 -39.62 8.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.214 0.53 . . . . 0.0 109.648 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.29 -29.01 61.45 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.93 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.21 40.21 34.73 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.302 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -124.55 21.45 8.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.731 -0.234 . . . . 0.0 111.123 -175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 1.2 m -53.18 -57.3 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.571 0.544 . . . . 0.0 110.5 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.553 ' O ' HD22 ' A' ' 66' ' ' LEU . 96.9 p 50.4 165.28 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 124.454 1.101 . . . . 0.0 113.253 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.43 -11.9 22.69 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.679 1.586 . . . . 0.0 110.677 170.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -70.78 -51.33 27.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 61' ' ' THR . 14.1 mptt -61.86 -44.16 97.38 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 109.855 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.553 HD22 ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -61.57 -30.01 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.047 -178.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.11 -48.88 49.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.212 173.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.0 79.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.161 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.5 mt -76.38 -2.94 34.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.65 -44.24 13.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mtm -79.85 -55.2 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.576 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.21 -34.97 75.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.871 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -58.87 -53.21 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.958 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.97 82.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.694 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 p -69.28 -26.12 64.59 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -65.06 -45.47 85.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.575 0.226 . . . . 0.0 110.827 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -70.74 -31.03 67.72 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.231 175.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.69 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.88 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.03 -50.05 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.05 -46.09 94.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.82 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' HB2' ' HD3' ' A' ' 93' ' ' LYS . . . -67.98 -37.34 81.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.396 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.01 -174.272 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.897 0.379 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.41 -30.5 71.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.353 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -62.52 -30.95 71.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.77 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -82.68 -44.63 15.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.249 0.547 . . . . 0.0 110.257 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.405 ' HD3' ' HB2' ' A' ' 81' ' ' ALA . 44.5 mttp -64.06 -41.21 97.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.552 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 p -59.83 -50.97 71.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.641 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -63.72 -33.91 76.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.0 m -59.44 -47.13 86.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.564 HG22 ' SD ' ' A' ' 101' ' ' MET . 56.6 mt -63.63 -51.64 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.31 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.948 -176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 t -66.12 -40.84 91.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.61 -35.75 73.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.602 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.564 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.1 mtp -65.25 -46.88 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.199 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 36.4 t -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.986 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 20.0 t30 -62.31 -40.23 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.4 77.11 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 2.5 t80 -66.3 -30.33 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.613 0.72 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 102' ' ' SER . 10.1 tp -63.78 -29.38 70.59 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.201 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 59.5 mm-40 -91.59 -17.97 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.502 ' HB ' ' CD1' ' A' ' 15' ' ' LEU . 4.2 p -94.13 -61.54 1.51 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.937 -173.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 t -108.56 -4.69 16.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.964 0.412 . . . . 0.0 110.912 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.06 2.97 90.71 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.381 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.69 153.7 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.7 t -101.29 110.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.489 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.502 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.3 t-20 -85.19 80.88 9.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.43 0.634 . . . . 0.0 109.476 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.607 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -65.82 -44.53 63.25 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.783 -177.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -47.34 -49.56 12.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.724 2.283 . . . . 0.0 113.224 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.77 -32.18 71.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 113' ' ' ASN . 33.1 mt -64.53 -36.89 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -67.89 -29.45 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 123' ' ' LEU . 38.5 mt-10 -70.27 -53.2 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.264 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.7 mp -58.39 -50.39 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.523 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.5 p -55.91 -47.39 77.56 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -64.67 -41.02 96.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -68.6 -38.06 80.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.274 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 120' ' ' ILE . 76.6 t -55.45 -53.46 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.029 0.443 . . . . 0.0 110.02 176.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 t -62.98 -48.28 79.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.818 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.544 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -72.21 -26.53 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.33 -53.49 23.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.282 -178.572 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.685 -0.166 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -147.26 -177.08 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.454 -0.439 . . . . 0.0 109.849 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.81 142.68 16.71 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.426 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.26 -50.8 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t 65.46 6.7 3.87 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.952 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -87.44 84.3 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.123 0.487 . . . . 0.0 110.164 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -170.58 -178.55 2.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.394 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 p -73.45 140.35 79.01 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.831 0.348 . . . . 0.0 110.977 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.09 -8.97 24.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.318 2.012 . . . . 0.0 111.847 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.453 ' HB2' HD23 ' A' ' 66' ' ' LEU . 5.4 m95 -94.48 3.11 55.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.637 -176.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -70.9 -26.07 63.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.908 0.385 . . . . 0.0 111.014 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.538 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 14.4 t30 -130.95 130.32 22.79 Favored Pre-proline 0 CA--C 1.512 -0.482 0 CA-C-O 121.261 0.553 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.538 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 18.5 Cg_endo -61.7 -37.04 71.38 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 123.389 2.726 . . . . 0.0 111.042 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.78 -38.4 95.88 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.579 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 37.4 tp -73.19 -45.91 53.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.447 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.76 89.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.703 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.74 -44.93 96.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -69.69 -32.1 70.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.85 -52.16 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.465 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.8 OUTLIER -62.17 -35.52 79.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.215 177.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.8 m-80 -60.49 -52.45 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.798 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -69.92 -32.55 70.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.388 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.568 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.7 t80 -55.76 -55.43 32.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.208 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.568 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 48.0 mmm -65.19 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.631 -175.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.2 mt-30 -61.91 -37.05 83.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.89 -36.19 9.37 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.09 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 23' ' ' PHE . 11.5 tp -67.64 -31.19 71.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 p -61.44 -25.88 67.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 111.248 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -101.13 6.69 43.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.547 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 20.8 mmt -83.79 138.27 40.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.66 149.25 33.83 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.787 2.324 . . . . 0.0 111.849 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.09 -32.26 5.87 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.718 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -105.85 -169.47 1.59 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.786 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.519 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.4 t -152.23 171.75 17.47 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.43 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.176 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -61.5 -46.26 90.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.16 -46.45 87.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 110.043 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.3 mt -61.31 -42.09 98.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.218 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.52 -47.28 86.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.96 -39.51 89.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.2 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.164 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.1 m -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.912 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.4 mm -66.25 -36.26 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.191 0.52 . . . . 0.0 110.112 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -57.76 -34.47 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.597 175.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.09 -39.36 89.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.104 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -65.0 -35.27 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 109.747 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.8 mmm -59.86 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.287 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.5 t -62.86 -46.57 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.008 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.35 -37.17 64.61 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -65.64 -42.1 91.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.029 0.442 . . . . 0.0 109.993 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.63 -40.0 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.769 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 13.1 mm100 -56.7 -36.55 69.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.118 0.485 . . . . 0.0 109.962 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -75.07 -44.73 45.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.68 -43.85 85.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.737 0.303 . . . . 0.0 111.185 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.08 -20.15 59.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.821 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.95 -29.93 15.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.64 -177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -89.32 -7.46 55.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.621 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.14 43.81 88.88 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.263 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -128.45 22.76 5.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.647 0.26 . . . . 0.0 111.444 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 m -77.75 68.78 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.349 0.595 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -90.92 155.55 45.03 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.944 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -52.45 -40.53 71.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.863 2.375 . . . . 0.0 113.007 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -67.74 -24.56 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' O ' HD22 ' A' ' 69' ' ' LEU . 12.4 mptt -71.23 -50.69 30.29 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 10' ' ' TRP . 59.9 mt -61.31 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.379 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -57.96 -39.01 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.524 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.51 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD22 ' O ' ' A' ' 65' ' ' LYS . 4.1 mm? -56.05 -35.68 67.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.904 177.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.97 -52.18 61.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 0.0 110.939 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -71.63 -47.25 55.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.779 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -65.68 -39.83 91.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.202 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -58.03 -47.7 82.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.991 0.425 . . . . 0.0 110.705 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.4 87.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.547 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 12.0 p -70.77 -33.55 70.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -175.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.9 m -58.79 -42.11 88.26 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.125 0.488 . . . . 0.0 110.734 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.6 mtm -73.56 -31.88 63.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.223 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.51 89.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.561 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 75' ' ' SER . 46.9 mt-10 -55.46 -40.37 71.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.372 0.606 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 92.4 mt -71.99 -51.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.127 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.04 -32.29 69.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.321 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 t -76.93 -9.89 58.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 57.35 74.24 0.43 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.216 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.86 157.7 29.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.811 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.83 -106.34 1.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.268 -0.491 . . . . 0.0 113.151 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.7 -5.69 86.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.401 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.25 -75.81 0.95 Allowed Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.296 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -46.82 123.64 5.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.52 -29.65 69.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.059 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -56.93 -46.9 81.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.117 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.7 m -70.16 -37.89 75.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.46 -54.13 49.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.354 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.1 p -62.75 -38.75 91.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.9 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -66.24 -32.49 73.94 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.547 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 58.8 m -70.35 -41.73 72.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.612 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.571 HG22 ' SD ' ' A' ' 101' ' ' MET . 67.7 mt -57.7 -49.37 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 0.0 110.636 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.41 73.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.074 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -69.5 -40.53 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.86 -37.41 73.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.571 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.9 mtp -62.25 -49.05 77.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.819 0.342 . . . . 0.0 111.344 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 p -67.55 -38.32 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.6 t30 -68.89 -40.77 79.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.064 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.42 93.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.865 0.364 . . . . 0.0 111.295 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.45 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 3.3 t80 -66.87 -32.96 74.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.538 0.685 . . . . 0.0 109.245 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.406 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 10.5 tp -60.9 -30.03 69.93 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.791 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.6 mm-40 -92.75 -27.92 16.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 111.124 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.2 p -81.11 -46.12 15.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -120.89 -23.32 5.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 103.5 -10.74 53.84 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.337 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.05 155.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.14 125.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.645 0.26 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -86.15 113.72 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.474 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.6 tp60 -82.32 -56.59 0.52 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.1 Cg_endo -53.98 -42.67 64.83 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.68 2.253 . . . . 0.0 113.468 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.43 -32.47 72.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.13 0.49 . . . . 0.0 110.165 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.38 -37.41 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 90.8 m-20 -62.61 -40.3 96.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.83 -57.61 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.672 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.6 mp -51.65 -49.97 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.9 p -57.46 -40.47 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -73.03 -36.56 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.617 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.01 -42.25 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.947 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.672 HG21 ' O ' ' A' ' 120' ' ' ILE . 66.0 t -53.01 -58.23 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.808 0.813 . . . . 0.0 109.621 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.6 m -59.85 -31.62 69.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.8 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.4 ttp -78.17 -51.91 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -68.1 -27.42 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.68 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.23 96.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 111.411 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.55 -35.7 78.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.33 44.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.226 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -108.42 -11.59 23.23 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.8 mtt -77.84 -33.49 52.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -114.75 149.32 37.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -77.24 71.35 3.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.181 0.515 . . . . 0.0 111.763 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.41 5.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 122.176 0.989 . . . . 0.0 109.117 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 p -108.22 24.96 12.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.749 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.697 -179.725 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.508 ' HA3' ' OD1' ' A' ' 4' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -94.02 -25.24 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.998 0.428 . . . . 0.0 110.727 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.23 74.04 0.18 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.508 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 4.0 m-20 -76.92 -65.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.136 . . . . 0.0 110.885 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m 60.12 91.16 0.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.671 0.607 . . . . 0.0 111.61 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -67.76 141.14 56.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -52.98 110.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.68 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.6 m -114.13 142.12 27.45 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.676 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 74.5 Cg_endo -77.75 -9.75 17.02 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.405 2.07 . . . . 0.0 112.608 178.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 -5.28 25.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.59 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.73 -9.38 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -138.26 135.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.168 0.509 . . . . 0.0 109.936 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.65 -38.67 30.65 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 C-N-CA 123.018 2.479 . . . . 0.0 111.503 -176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.78 -35.01 89.06 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.933 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 tp -70.18 -40.43 74.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.79 75.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.663 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.79 -34.68 75.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.291 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -72.87 -36.06 67.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.99 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.77 -48.45 80.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.114 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.5 mmt -64.11 -36.19 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -61.97 -53.2 59.0 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.579 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 t -66.69 -34.16 77.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.154 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.91 -49.87 75.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.749 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' A' ' 24' ' ' MET . 2.0 mmt -64.19 -37.99 89.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.784 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.61 -36.76 85.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.298 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.56 -36.39 33.79 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.871 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.5 -29.49 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 111.434 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -70.43 -12.3 61.49 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 110.646 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -93.47 1.74 56.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.149 0.499 . . . . 0.0 109.855 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.5 mmt -102.1 114.9 65.32 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.319 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.83 -1.96 8.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.096 2.531 . . . . 0.0 112.768 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.44 -27.95 73.5 Favored Glycine 0 C--N 1.313 -0.713 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.896 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -118.32 164.2 15.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 110.919 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -113.3 169.98 8.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.165 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.852 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 m -65.41 -43.04 91.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.16 -35.07 79.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.07 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.5 mt -64.14 -45.29 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.511 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.25 -47.39 84.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.8 m-20 -66.1 -39.32 89.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 ttm -65.17 -40.21 94.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 33.0 t -61.53 -37.09 82.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -67.45 -41.37 84.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.797 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 40' ' ' ASP . 42.9 mm -66.62 -37.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 0.0 109.83 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.67 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' SER . 31.1 mm-40 -63.92 -44.06 94.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.388 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -59.41 -34.37 72.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.6 tpp -69.33 -58.56 3.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.33 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.3 t -58.52 -47.31 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.04 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.82 -33.5 75.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.488 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 m -72.94 -39.73 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.03 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.809 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.8 mm-40 -53.11 -39.78 63.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -85.33 -41.78 15.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.979 0.419 . . . . 0.0 110.765 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.71 -45.49 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.78 -20.47 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.36 -34.01 13.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.993 0.425 . . . . 0.0 110.094 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -84.25 0.33 49.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.217 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.91 34.96 78.16 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.819 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.71 6.51 21.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 t -80.97 141.6 34.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.217 0.532 . . . . 0.0 110.796 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.471 ' O ' HD23 ' A' ' 66' ' ' LEU . 32.2 m -156.84 154.06 25.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.21 -35.39 33.89 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.367 2.711 . . . . 0.0 113.476 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.433 HD21 ' C ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -64.16 -38.65 91.83 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.358 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -45.71 79.71 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.11 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.664 -178.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.138 0.494 . . . . 0.0 110.458 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.02 72.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.61 -34.1 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.72 -47.33 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.743 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -71.27 -47.6 55.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.094 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.78 -40.0 86.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.4 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -55.92 -47.65 77.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.646 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.47 71.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.636 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 54.1 p -65.22 -38.24 89.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.698 -175.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.7 m -65.58 -38.2 88.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 111.273 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.87 -35.54 74.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 109.933 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 124' ' ' VAL . . . -60.54 -42.6 96.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.976 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' SER . 44.7 mt-10 -56.54 -45.92 80.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.7 -49.27 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.873 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.6 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.899 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.83 -9.16 32.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.117 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -82.07 71.93 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -172.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 48.45 78.52 0.08 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.79 0.805 . . . . 0.0 110.809 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.41 131.62 44.36 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.842 -168.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.1 57.73 3.6 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.08 -69.37 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.23 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.76 31.02 1.27 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.312 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.8 t 177.47 118.28 0.03 OUTLIER 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.722 0.409 . . . . 0.0 110.245 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tt -91.66 -27.35 18.16 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -64.46 -35.72 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.467 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.7 m -67.47 -28.88 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.373 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -66.32 -49.33 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.654 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -59.02 -41.86 88.76 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 m -65.46 -40.57 93.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.926 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.2 m -62.12 -48.81 78.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.526 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -50.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.788 0.328 . . . . 0.0 110.552 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.3 97.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.527 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.3 m -68.72 -34.29 75.38 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.53 55.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.107 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 38.4 mtm -64.89 -42.24 94.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.615 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.4 p -63.6 -41.9 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.193 0.521 . . . . 0.0 110.282 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 12.4 t30 -65.78 -40.92 92.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.872 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.03 90.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HD1' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -58.16 -42.09 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.737 0.78 . . . . 0.0 109.224 174.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.53 -33.59 71.58 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.147 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 55.6 mm-40 -87.26 -32.83 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 111.23 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.3 p -77.27 -61.03 2.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 111.592 -174.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -104.61 -16.81 14.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.745 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.16 -16.14 61.65 Favored Glycine 0 N--CA 1.455 -0.094 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.321 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.433 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 17.4 t -119.79 154.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.79 129.7 73.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -92.72 96.85 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -68.39 -48.95 33.78 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.262 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.7 Cg_exo -52.24 -36.07 66.05 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.167 1.911 . . . . 0.0 113.039 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -67.0 -39.19 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 109.295 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.69 -37.76 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.151 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 8.5 m-20 -57.09 -33.98 67.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.243 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.7 mt-10 -73.53 -43.96 58.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.561 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.7 mp -62.98 -48.33 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.4 p -55.68 -47.19 77.19 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 8.0 mm100 -65.48 -37.37 86.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.1 mp -72.87 -35.9 67.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -57.41 -53.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.035 0.445 . . . . 0.0 109.863 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.1 t -58.3 -47.61 83.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.13 -48.36 73.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.831 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -76.77 -22.42 53.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.953 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.34 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.443 0.64 . . . . 0.0 110.1 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -64.43 -20.07 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.453 ' HA ' HG13 ' A' ' 135' ' ' VAL . . . -89.7 6.18 42.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.85 13.97 12.87 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.159 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.7 mtt -107.8 -74.32 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -174.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -162.76 131.12 3.93 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.6 t70 62.13 40.65 11.65 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.692 0.758 . . . . 0.0 112.312 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.453 HG13 ' HA ' ' A' ' 130' ' ' ALA . 9.9 p -102.82 4.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 121.703 0.763 . . . . 0.0 110.606 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.6 m -98.67 26.72 5.37 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.529 -172.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.511 -0.756 . . . . 0.0 110.425 178.273 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -81.6 114.07 20.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.97 76.9 1.65 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.37 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -61.9 -81.84 0.02 OUTLIER 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.977 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -88.23 87.4 7.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.734 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.21 59.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.683 0.754 . . . . 0.0 110.873 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 t -138.08 124.49 20.65 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.578 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.3 m -125.46 138.94 32.76 Favored Pre-proline 0 C--N 1.314 -0.949 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 34.6 Cg_endo -66.54 -12.67 36.73 Favored 'Trans proline' 0 N--CA 1.466 -0.089 0 C-N-CA 122.199 1.933 . . . . 0.0 111.764 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.2 5.38 44.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.519 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -75.27 -24.53 57.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.238 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -139.33 132.49 15.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.52 -32.87 88.39 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 C-N-CA 123.495 2.796 . . . . 0.0 111.933 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.42 -32.46 62.25 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.589 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.75 -57.65 5.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.25 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.76 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.38 -47.92 80.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.011 0.434 . . . . 0.0 110.402 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -73.95 -28.5 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.8 -56.58 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -34.73 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.308 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.3 m-80 -57.94 -59.54 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.344 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.0 m -62.65 -36.35 82.56 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.82 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 81.3 t80 -56.73 -54.38 46.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.44 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 1.7 mmt -65.28 -35.67 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.305 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.5 mm-40 -58.44 -50.8 72.42 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.735 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -71.13 -37.93 63.64 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.187 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -58.6 -41.15 85.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.404 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -66.77 -17.94 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -96.76 2.12 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.023 0.44 . . . . 0.0 110.487 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 26.3 mmt -91.67 122.37 65.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.955 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.57 109.93 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.574 2.183 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.64 -38.77 0.58 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.252 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 53.5 m-85 -88.19 -178.6 5.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.218 0.533 . . . . 0.0 110.991 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 t -138.38 164.63 28.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.255 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.72 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.397 0.436 . . . . 0.0 111.671 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -59.93 -43.27 95.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.44 -30.6 64.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.094 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 27' ' ' LEU . 96.9 mt -68.78 -40.42 79.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -51.01 71.6 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.304 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' HG12 ' A' ' 44' ' ' ILE . 39.8 m-20 -64.27 -45.99 85.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.8 ttm -58.1 -42.2 85.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.173 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 26.0 t -62.16 -46.49 88.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.419 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 m -63.65 -41.14 98.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.22 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -66.6 -40.3 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.123 0.487 . . . . 0.0 110.266 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.16 -36.67 73.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.534 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.3 mm-40 -63.95 -34.95 79.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.703 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -59.93 -39.72 86.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.124 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.8 ttm -69.12 -47.57 64.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 94.5 t -56.65 -45.12 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.482 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -61.0 -37.29 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 58.5 m -69.14 -38.25 78.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.46 -37.55 79.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.76 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.1 mm-40 -55.55 -48.17 75.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 0.0 110.054 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.3 m -64.01 -42.56 97.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.977 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 82.3 mt -61.45 -46.23 90.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.287 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.59 -3.38 50.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.07 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 -41.92 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.102 0.477 . . . . 0.0 109.99 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.96 -27.63 26.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.699 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.54 43.31 6.96 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.104 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -105.5 9.19 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 55' ' ' LEU . 1.2 m -82.54 84.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 112.18 -172.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -89.42 158.98 45.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 169.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.8 -24.98 40.7 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.67 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.0 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.045 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 27.0 mmmt -61.42 -49.76 75.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.004 0.431 . . . . 0.0 110.246 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -33.44 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.631 -174.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.08 -42.49 94.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.234 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.35 66.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.3 mt -62.01 -31.97 72.4 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.602 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -53.61 -56.26 18.75 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.529 0.518 . . . . 0.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.19 -45.17 93.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.372 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -65.19 -42.16 93.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.506 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -61.5 -46.21 90.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 -32.96 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.1 p -67.21 -41.42 85.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.77 -29.99 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.048 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.361 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -36.24 82.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.348 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.72 -47.82 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.464 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -20.07 63.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.15 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -25.02 66.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.053 0.454 . . . . 0.0 110.48 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -80.01 83.73 5.86 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.734 0.778 . . . . 0.0 110.02 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -79.16 -5.03 53.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.527 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.88 113.64 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.53 -18.09 11.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.704 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.82 -119.59 1.17 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.365 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.2 173.92 15.22 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.09 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.6 m -64.98 177.1 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.456 0.646 . . . . 0.0 112.153 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.5 -41.41 88.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.756 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -55.46 -35.3 65.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.148 0.499 . . . . 0.0 111.849 -176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.9 m -73.48 -31.42 63.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.383 0.611 . . . . 0.0 110.734 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.5 mtmm -87.68 -37.24 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.302 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 p -54.92 -46.16 74.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.968 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -60.99 -37.45 82.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -62.47 -44.88 95.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.326 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.49 -52.6 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.044 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.97 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.947 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.1 m -64.88 -36.39 84.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 120.792 0.33 . . . . 0.0 110.971 -177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.72 -34.7 34.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.5 ttp -70.28 -44.1 69.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.408 ' O ' HD12 ' A' ' 106' ' ' LEU . 32.2 m -62.07 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.455 0.645 . . . . 0.0 110.133 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.547 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.9 t30 -64.93 -33.27 75.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.56 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -36.56 83.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.504 0.669 . . . . 0.0 109.87 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 102' ' ' SER . 8.5 mp -66.47 -34.41 77.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.767 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.0 mm-40 -73.26 -30.55 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.8 p -92.27 -59.76 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -171.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -119.88 -9.8 9.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.957 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.86 1.39 88.93 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.856 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.17 145.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.67 124.8 70.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.128 0.489 . . . . 0.0 111.354 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -81.23 91.08 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.563 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.428 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.4 tp60 -64.45 -47.62 76.78 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.767 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.4 Cg_exo -47.51 -45.25 23.58 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.519 2.146 . . . . 0.0 113.3 177.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.27 -37.85 71.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.237 0.542 . . . . 0.0 110.022 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.51 -31.64 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.441 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.521 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.3 m-20 -61.95 -39.49 92.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.313 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.445 ' O ' HD13 ' A' ' 123' ' ' LEU . 41.9 mt-10 -64.73 -51.35 62.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.688 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.68 -54.93 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -56.98 -42.99 81.22 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -171.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 76.5 mm-40 -69.58 -38.77 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 0.0 110.454 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.5 mp -69.76 -38.02 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.8 t -53.42 -58.17 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.532 0.682 . . . . 0.0 109.501 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.9 m -54.79 -46.56 74.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.773 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.4 ttp -66.37 -44.79 82.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.44 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -77.91 -25.96 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.845 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.44 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.223 0.535 . . . . 0.0 110.834 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -65.91 -23.94 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.554 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.22 59.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.97 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.36 -18.97 24.63 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.4 mtt -86.34 -48.67 8.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.496 0.665 . . . . 0.0 109.875 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.01 145.03 27.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.201 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.15 70.25 3.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.433 0.635 . . . . 0.0 111.362 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p -112.66 9.41 8.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 122.472 1.129 . . . . 0.0 109.015 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.9 p -88.23 80.17 7.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.146 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.536 -177.158 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -128.28 173.26 10.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.615 0.245 . . . . 0.0 110.815 -176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.15 41.3 0.77 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.737 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.02 -21.27 63.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m -84.96 6.1 26.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.922 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -101.25 41.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 m -74.6 90.6 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.367 0.603 . . . . 0.0 111.232 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m -148.65 138.32 12.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.01 -21.0 72.93 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.892 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.26 12.11 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.278 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 t -62.07 -42.97 99.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.97 140.94 39.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.4 -40.46 57.61 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.086 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.72 -31.97 77.12 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.153 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.79 -58.99 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.23 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.632 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.81 -50.28 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.79 -31.37 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.867 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.11 -50.7 72.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.014 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.51 -35.85 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.723 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 7.2 m-80 -59.4 -56.88 16.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.492 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -65.15 -30.82 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.36 -52.55 65.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.123 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.793 -179.464 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 35.1 mm-40 -56.13 -42.73 77.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.37 -36.48 26.8 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.349 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tp -68.26 -29.34 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.6 0.238 . . . . 0.0 111.595 -175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 p -74.38 2.09 10.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 m -115.59 3.03 13.91 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.199 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.509 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.5 mmt -92.83 138.07 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -175.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.62 160.5 22.04 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.805 2.337 . . . . 0.0 111.672 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.14 -12.74 44.67 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.542 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.55 -168.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.928 0.394 . . . . 0.0 110.543 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -153.49 171.94 17.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.632 0.582 . . . . 0.0 111.967 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -68.7 -46.22 69.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.753 0.311 . . . . 0.0 110.268 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.93 -33.86 76.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.157 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.0 mt -71.73 -43.91 65.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.67 -44.86 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.307 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.3 m-20 -61.94 -45.14 94.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.1 ttm -63.86 -35.99 82.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.514 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 43.6 t -58.94 -47.04 86.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.121 177.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.7 m -65.24 -38.36 90.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 40' ' ' ASP . 41.1 mm -67.98 -39.54 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 109.925 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -60.17 -36.21 77.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.355 176.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -67.09 -32.43 73.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 m -68.27 -34.36 76.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.08 0.467 . . . . 0.0 110.009 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.8 mmm -63.17 -47.81 81.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.811 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.64 -51.23 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.94 -36.93 70.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.756 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -68.69 -37.28 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.8 mm-40 -57.88 -34.47 69.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.198 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -81.32 -44.58 17.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.04 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.41 -39.86 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.459 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -12.93 60.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.566 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.36 -28.97 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.307 0.575 . . . . 0.0 110.042 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.29 -7.5 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.69 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 39.06 84.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.943 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -123.35 25.81 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.625 0.25 . . . . 0.0 111.447 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.56 63.27 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.862 0.839 . . . . 0.0 110.86 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 m -79.68 139.95 54.81 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.344 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.03 -25.4 63.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.59 2.194 . . . . 0.0 112.83 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -69.31 -26.81 64.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.266 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.3 mttm -73.0 -49.51 28.47 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.497 0.665 . . . . 0.0 109.243 174.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.9 -39.91 87.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.289 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.8 tm0? -67.09 -43.0 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.23 71.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.04 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.0 mt -59.32 -34.71 72.66 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 7.2 t30 -52.91 -48.46 67.22 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.191 0.52 . . . . 0.0 111.248 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.6 mtm -71.6 -44.92 63.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.448 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -68.02 -37.19 81.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.016 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.91 -46.15 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.27 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.828 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.8 p -72.87 -34.26 66.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -65.46 -40.01 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.195 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.5 mtm -69.48 -32.66 71.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.084 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.67 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.138 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.0 mt-10 -57.79 -45.03 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.321 0.581 . . . . 0.0 110.405 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -67.58 -48.72 75.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.919 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.02 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -84.8 47.46 1.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.678 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 9.6 pt-20 -80.65 48.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -175.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.69 -18.19 62.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.08 5.79 84.51 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.97 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.45 174.41 35.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.002 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 93' ' ' LYS . . . 76.0 100.38 0.13 Allowed Glycine 0 C--O 1.221 -0.657 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.138 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.1 m -58.23 154.9 12.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.483 0.659 . . . . 0.0 112.767 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 125' ' ' SER . 51.0 tp -55.01 -25.9 33.33 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.076 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -54.38 -39.86 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.883 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 m -77.56 -39.28 46.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.538 ' NZ ' ' HB3' ' A' ' 84' ' ' GLU . 62.1 mttp -56.43 -49.63 74.01 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.617 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -60.03 -35.47 75.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.517 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 m -73.29 -42.2 62.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.698 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.8 m -61.56 -48.13 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.868 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.572 HG22 ' SD ' ' A' ' 101' ' ' MET . 65.6 mt -59.53 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.633 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.02 -32.36 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.631 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -71.37 -40.26 70.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.292 0.568 . . . . 0.0 109.77 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.75 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.769 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 97' ' ' ILE . 17.6 mtp -67.72 -47.11 70.29 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.769 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -63.5 -43.56 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.164 0.506 . . . . 0.0 110.168 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.619 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 t30 -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.01 177.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.06 86.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.924 0.393 . . . . 0.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.73 -31.66 70.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 109.393 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.05 -28.36 69.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.715 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -88.27 -28.42 21.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.827 0.346 . . . . 0.0 111.401 -176.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -88.71 -36.61 16.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.371 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.2 p -117.33 -36.49 3.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.82 -3.6 57.41 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.56 158.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.28 124.1 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.314 . . . . 0.0 110.577 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -84.17 120.2 25.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.208 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.53 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.9 tp60 -86.23 -53.75 0.42 Allowed Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.6 Cg_endo -52.28 -48.64 20.75 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.891 2.394 . . . . 0.0 114.526 -170.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -71.32 -34.34 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.867 0.365 . . . . 0.0 110.465 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.93 -31.82 55.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.555 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.94 -31.89 73.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -86.44 -51.3 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.425 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.572 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.7 mp -52.96 -49.2 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 122.991 0.182 . . . . 0.0 111.251 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.7 p -54.95 -53.02 60.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -64.87 -40.14 94.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.55 -40.09 77.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 120' ' ' ILE . 77.7 t -56.89 -52.85 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.065 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.434 ' HA ' HD21 ' A' ' 90' ' ' LEU . 7.4 t -61.95 -46.42 89.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 58.6 ttp -61.65 -54.45 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.606 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -66.94 -30.54 70.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.548 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.01 -54.31 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -65.34 -33.49 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.34 60.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.202 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.63 -24.79 17.1 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.91 -54.85 6.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.698 -0.751 . . . . 0.0 109.824 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -137.78 148.91 45.95 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.684 -173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 86.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.537 0.684 . . . . 0.0 110.228 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.54 0.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.931 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -107.31 95.81 5.97 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.244 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.657 175.399 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -76.93 94.35 3.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.791 0.329 . . . . 0.0 110.176 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.9 159.01 11.42 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.792 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.29 83.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -88.13 118.5 27.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.066 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -52.8 106.43 0.16 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.447 0.641 . . . . 0.0 112.004 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.2 m -79.33 90.43 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.39 0.614 . . . . 0.0 110.62 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.2 m -127.42 139.9 36.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.158 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 56.2 Cg_endo -70.86 -13.07 31.66 Favored 'Trans proline' 0 CA--C 1.525 0.059 0 C-N-CA 122.46 2.107 . . . . 0.0 112.748 -177.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -103.99 15.69 27.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.404 -174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.415 HG23 ' HB ' ' A' ' 8' ' ' THR . 24.1 p -71.4 -39.01 71.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.457 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -132.02 148.75 71.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.631 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.69 -40.17 38.78 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.765 2.31 . . . . 0.0 112.063 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.62 -34.49 87.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.992 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -60.12 4.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.27 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.964 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.32 -55.56 33.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.42 . . . . 0.0 110.384 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -66.18 -33.68 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.155 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.46 -51.87 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.518 ' O ' ' HG2' ' A' ' 24' ' ' MET . 24.0 mmt -65.7 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -62.95 -51.6 66.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.463 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -65.59 -31.26 72.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.797 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.5 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 77.4 t80 -57.66 -52.3 65.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.22 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 20' ' ' MET . 61.6 mmm -65.6 -36.14 82.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.1 -39.03 80.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.545 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -83.96 -40.12 8.94 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.096 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -60.98 -36.94 80.77 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.628 0.371 . . . . 0.0 110.913 -176.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -66.78 -21.25 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.885 0.374 . . . . 0.0 111.529 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -99.82 10.22 41.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.612 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 25.9 mmt -96.31 116.71 66.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.35 110.97 2.98 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.06 1.84 . . . . 0.0 111.109 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.07 -31.97 0.88 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.906 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -102.04 -171.98 2.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.797 0.332 . . . . 0.0 110.295 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -150.66 175.15 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.48 75.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.411 0.445 . . . . 0.0 111.69 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 m -66.23 -44.02 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.655 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.09 -43.01 99.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.89 -38.78 76.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.569 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.44 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.46 -46.73 69.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.758 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.525 ' SD ' HG22 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -46.57 -53.04 12.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 173.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.3 t -61.92 -37.18 83.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.084 0.469 . . . . 0.0 110.552 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.9 m -70.47 -44.01 68.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.162 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 mm -68.6 -37.08 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.208 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.46 63.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.517 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.9 mm-40 -63.42 -41.14 98.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.884 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.9 m -60.84 -38.06 84.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.642 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.7 tpp -67.69 -49.74 61.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.469 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.7 t -59.89 -46.58 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.12 -28.58 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -73.82 -44.86 54.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.188 0.518 . . . . 0.0 110.242 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.01 -34.71 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.678 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.6 mm-40 -53.93 -45.16 71.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.024 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -72.42 -40.05 67.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.08 -36.48 83.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.564 0.221 . . . . 0.0 111.357 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.01 -14.06 59.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.76 -31.0 13.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.93 -16.73 46.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.884 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.54 32.35 71.28 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -113.58 29.62 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 111.374 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -76.6 80.73 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.617 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -100.34 146.95 32.87 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.55 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.97 -33.01 70.75 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.111 2.541 . . . . 0.0 112.784 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 93.0 m-20 -71.86 -21.07 61.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -76.85 -40.62 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.588 0.708 . . . . 0.0 109.314 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.0 mt -72.06 -36.56 69.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.075 -175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -61.91 -32.73 73.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.577 . . . . 0.0 110.421 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 -32.94 66.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.596 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.04 -32.58 74.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.713 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.47 -57.98 9.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.952 0.406 . . . . 0.0 110.561 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtm -59.48 -47.94 83.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.318 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.58 -48.66 80.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.071 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -57.06 -52.46 65.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.05 79.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.898 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 m -70.65 -29.59 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.562 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -69.33 -36.71 77.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.535 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.4 mtm -73.89 -29.63 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.092 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.33 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.888 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.12 -44.57 75.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.03 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.525 HG22 ' SD ' ' A' ' 41' ' ' MET . 70.4 mt -62.77 -52.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.248 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.5 80.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.175 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.28 -42.6 75.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.047 0.451 . . . . 0.0 110.955 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 t -84.23 49.61 1.69 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.188 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 9.1 pt-20 -78.78 81.23 5.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.968 0.889 . . . . 0.0 111.172 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.71 -19.66 65.8 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.707 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.34 -10.35 59.51 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.144 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.54 -162.77 36.5 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.159 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.49 -16.43 12.65 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.837 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.9 m 72.63 127.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.653 0.739 . . . . 0.0 111.776 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tt -76.33 -29.26 57.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.436 -174.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 m -59.65 -22.21 61.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.847 0.355 . . . . 0.0 110.829 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.8 m -90.69 -43.34 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.047 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 84' ' ' GLU . 61.6 mttp -53.23 -43.57 67.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.534 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -64.89 -18.94 65.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -91.08 -37.95 13.09 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 18.5 m -57.85 -43.08 85.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.504 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.588 HG23 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -59.73 -50.74 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.3 74.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.745 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 t -69.16 -41.58 77.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.29 79.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.588 ' SD ' HG23 ' A' ' 97' ' ' ILE . 30.3 mtp -64.66 -45.1 88.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.732 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' HD11 ' A' ' 106' ' ' LEU . 29.3 m -60.38 -47.33 86.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.205 177.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 39.4 t30 -60.29 -37.61 81.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.049 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.02 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.104 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.56 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 19.4 m-85 -61.37 -39.04 89.19 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.402 0.62 . . . . 0.0 110.577 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.434 HD11 ' O ' ' A' ' 102' ' ' SER . 5.2 mp -59.36 -38.06 79.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.422 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.3 mm-40 -82.58 -29.23 30.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.187 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 p -84.31 -66.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 111.733 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -108.44 -14.03 14.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.457 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.48 6.19 87.78 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.193 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.56 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 t -135.8 143.52 36.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 p -114.65 128.73 71.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 120.999 0.428 . . . . 0.0 111.022 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -89.21 98.18 11.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.487 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -67.39 -46.82 49.21 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.082 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -46.79 -44.14 22.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.542 2.161 . . . . 0.0 113.175 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.65 -40.5 76.46 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.797 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 55.7 mt -65.89 -36.44 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.561 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.0 m-20 -60.5 -36.96 79.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.088 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.4 mt-10 -66.39 -47.52 73.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.498 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.7 mp -57.18 -48.05 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.7 p -58.72 -42.15 88.02 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.454 HE21 ' HA ' ' A' ' 119' ' ' GLU . 22.5 pt20 -78.02 -9.48 59.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.523 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 81.2 mt -94.96 -41.9 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.461 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -53.93 -59.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 O-C-N 123.304 0.377 . . . . 0.0 111.051 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -45.07 89.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.145 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -63.35 -55.63 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.34 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.05 -28.94 69.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.611 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.64 -58.25 3.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.737 0.303 . . . . 0.0 111.664 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.28 -19.22 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.099 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CG1' ' A' ' 135' ' ' VAL . . . -65.0 -18.67 65.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 111.043 175.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -99.57 -0.35 56.67 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 65.6 mtt -95.3 -59.99 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 0.0 109.953 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -98.59 166.92 11.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.576 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.02 91.7 5.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.805 0.812 . . . . 0.0 110.627 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 130' ' ' ALA . 7.9 p -141.52 12.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.801 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.1 m -107.06 79.74 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.788 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.421 -0.8 . . . . 0.0 109.855 -178.666 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -154.91 149.75 26.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.78 100.63 2.09 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.461 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -72.28 -21.68 61.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.997 0.427 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -135.8 78.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.228 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -99.93 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.919 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 m -65.27 96.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.246 0.546 . . . . 0.0 111.007 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.02 136.99 18.71 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.621 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.19 -13.02 33.11 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.533 2.155 . . . . 0.0 112.722 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -100.94 15.0 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.05 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -67.73 -64.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.618 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.86 140.37 22.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.053 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.15 -42.76 52.1 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.839 2.36 . . . . 0.0 112.22 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.71 -39.78 97.14 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.585 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.46 -39.51 77.71 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.36 -0.494 . . . . 0.0 110.011 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.9 82.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.612 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.15 -38.21 87.56 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.098 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' HB3' HG22 ' A' ' 108' ' ' THR . 23.9 m-80 -69.42 -37.12 77.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.419 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.35 -52.02 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 23' ' ' PHE . 19.2 mmt -63.82 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.336 . . . . 0.0 111.466 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.7 m-80 -67.57 -52.62 36.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.631 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -61.61 -32.94 73.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.502 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 20' ' ' MET . 64.0 t80 -54.54 -58.97 5.41 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.695 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.9 tpp -70.61 -32.09 69.31 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.595 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 15.9 mm100 -60.6 -35.35 75.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.019 0.437 . . . . 0.0 110.523 175.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.94 13.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.005 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.63 -31.42 72.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.556 0.217 . . . . 0.0 111.571 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -71.34 -2.44 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.975 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -108.01 2.9 23.52 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.502 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.8 mmt -99.14 136.36 20.54 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.37 164.49 32.57 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.55 2.167 . . . . 0.0 111.768 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.78 -27.79 9.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.659 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.22 161.91 16.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.446 ' CG2' ' HG3' ' A' ' 37' ' ' GLN . 11.3 t -108.58 163.72 12.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 170.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.88 66.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -62.28 -32.86 73.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.095 0.474 . . . . 0.0 111.173 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' CG2' ' A' ' 34' ' ' THR . 74.5 mt-30 -80.85 -40.33 25.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.072 -178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.11 -39.96 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.572 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.16 -42.02 98.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.975 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' O ' HG12 ' A' ' 44' ' ' ILE . 13.5 t70 -66.53 -48.74 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.85 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.5 ttm -58.88 -40.76 85.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.302 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 15.5 t -63.75 -39.68 94.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.399 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -67.84 -42.52 81.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.817 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.0 mm -65.82 -36.98 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.308 0.575 . . . . 0.0 110.13 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.34 74.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.809 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.6 mm-40 -63.99 -33.72 76.37 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -63.73 -42.17 97.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.0 mtp -63.85 -42.03 97.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.066 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 93.8 t -56.61 -50.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.52 177.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.03 -35.94 78.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -66.93 -39.38 87.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.7 mt -74.32 -32.39 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.192 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -53.06 -48.06 67.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 110.423 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.5 m -79.81 -34.36 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.123 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.01 -49.46 75.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.62 7.02 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 -34.37 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.176 0.512 . . . . 0.0 109.743 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.45 -7.39 59.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.701 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.12 24.01 77.49 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.42 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 60' ' ' ARG . 49.1 mtt180 -99.19 18.24 17.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.225 0.536 . . . . 0.0 110.994 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -73.03 105.07 4.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.799 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.456 ' O ' HD21 ' A' ' 66' ' ' LEU . 3.4 m -119.58 149.31 47.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.93 -40.77 49.03 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.961 2.441 . . . . 0.0 113.153 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.25 -35.73 78.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 30.8 mttp -66.82 -40.37 87.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.8 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -69.75 -33.9 73.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 110.093 178.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.3 tt0 -63.31 -40.32 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.92 87.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 88.9 mt -64.79 -29.07 70.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 25.0 t-20 -60.75 -53.57 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.338 0.59 . . . . 0.0 109.995 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.57 -45.01 73.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.871 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -54.51 -46.44 73.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.82 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -58.67 -48.83 79.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.39 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.18 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.623 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.1 p -69.83 -39.0 76.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -61.88 -35.34 78.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.956 0.408 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.0 mtm -75.14 -36.61 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.953 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.28 83.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.467 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.6 -47.09 83.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.409 0.623 . . . . 0.0 110.343 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.5 -38.06 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.684 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . . . -66.6 -17.36 64.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.371 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.9 6.6 21.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.74 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.475 ' HG ' ' CD ' ' A' ' 85' ' ' GLU . 5.2 t -94.73 94.53 8.16 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.29 14.91 26.24 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.232 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.475 ' CD ' ' HG ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -78.92 -52.3 8.47 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 178.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 49.3 4.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.057 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.66 87.2 1.7 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 89' ' ' SER . . . -78.0 118.57 5.0 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.527 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 23.1 t 169.58 92.08 0.0 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.29 0.636 . . . . 0.0 109.822 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 94' ' ' THR . 50.5 tp -70.74 -35.18 72.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.646 0.26 . . . . 0.0 110.356 176.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -53.16 -39.83 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.513 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 m -78.97 -44.03 23.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.768 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 89' ' ' SER . 61.9 mttp -53.46 -51.15 63.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 90' ' ' LEU . 10.2 t -69.69 -10.97 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.671 -175.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 m -95.11 -43.86 7.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.929 0.395 . . . . 0.0 110.415 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.502 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 54.1 m -55.11 -41.08 71.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.617 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.594 HG22 ' SD ' ' A' ' 101' ' ' MET . 68.9 mt -58.43 -47.06 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.02 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.43 99.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.145 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m -67.33 -32.64 73.73 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.0 0.429 . . . . 0.0 110.582 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.47 64.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.575 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.594 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.2 mtp -65.85 -44.48 85.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.402 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 27.0 t -64.35 -40.23 95.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.252 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.495 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 41.5 t-20 -55.36 -48.09 74.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.257 174.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.27 78.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.894 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -66.14 -32.17 73.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.229 0.538 . . . . 0.0 110.412 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 102' ' ' SER . 63.1 mt -73.81 -20.56 60.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.661 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 50.5 mm-40 -97.42 -18.66 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.403 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.1 p -92.32 -65.17 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -34.98 6.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.007 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.61 -11.14 38.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.5 t -111.55 142.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.9 t -103.65 137.36 32.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.087 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -109.52 102.79 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.555 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.2 tp60 -66.57 -49.68 50.13 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 7.8 Cg_endo -49.33 -37.07 39.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.807 2.338 . . . . 0.0 114.142 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -73.4 -24.14 60.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.908 0.385 . . . . 0.0 111.073 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.13 -33.11 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.458 0.646 . . . . 0.0 109.672 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -61.46 -45.63 93.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.541 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.9 mt-10 -62.73 -55.56 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.391 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.53 -48.35 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.696 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 p -58.26 -42.42 86.41 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.17 -40.3 94.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 67.8 mt -70.21 -35.63 74.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.134 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 120' ' ' ILE . 87.0 t -56.84 -59.09 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 121.62 0.724 . . . . 0.0 109.659 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 m -58.97 -25.32 63.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.821 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.6 ttm -82.36 -60.21 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 111.036 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -69.61 -24.79 63.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.332 -172.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.46 98.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.197 0.522 . . . . 0.0 110.881 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -65.77 -30.13 70.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.997 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.92 -6.76 53.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.08 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -100.99 -21.77 11.54 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 59.1 mtt -79.62 -43.95 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.222 0.534 . . . . 0.0 110.265 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -99.35 139.16 35.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.778 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.9 74.3 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.279 0.561 . . . . 0.0 110.823 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -102.9 13.75 6.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 122.215 1.007 . . . . 0.0 109.067 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.4 m -78.38 91.18 4.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.426 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.755 174.483 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.876 -0.489 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -84.57 45.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.853 0.359 . . . . 0.0 111.213 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.62 -120.11 17.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.066 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -114.02 51.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 0.0 109.734 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -144.98 147.44 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.494 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -128.72 116.83 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.626 0.251 . . . . 0.0 110.616 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 m -74.37 98.43 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 110.514 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m -146.21 138.98 14.08 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 35.0 Cg_endo -64.74 -17.82 60.66 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.603 2.202 . . . . 0.0 112.944 -176.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -96.23 5.31 51.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.221 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -73.46 -27.71 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 111.042 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -136.43 135.84 21.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.5 Cg_exo -53.65 -43.42 57.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.844 2.362 . . . . 0.0 111.759 173.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.03 -38.19 95.67 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.466 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.9 -40.21 79.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 110.171 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.4 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.673 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 10.2 pt-20 -65.79 -39.68 91.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.167 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.85 -38.29 79.68 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.688 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.41 -47.52 81.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.217 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.499 ' O ' ' HG2' ' A' ' 24' ' ' MET . 25.5 mmt -65.29 -37.37 86.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 6.1 m-80 -58.46 -54.43 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.702 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -67.4 -31.44 71.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.558 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 80.5 t80 -58.11 -55.22 37.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.558 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.9 mmm -64.71 -33.86 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.692 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 57.8 mt-30 -58.08 -49.08 78.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.025 0.44 . . . . 0.0 110.803 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -77.46 -33.1 44.64 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.224 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 HD23 ' CE2' ' A' ' 23' ' ' PHE . 13.6 tp -68.8 -32.69 72.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 111.007 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.0 m -97.67 -5.48 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.449 . . . . 0.0 110.231 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.425 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.4 mmt -85.58 133.62 41.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.82 144.87 31.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.573 2.182 . . . . 0.0 112.2 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.35 -26.78 5.7 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -109.37 -170.97 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.389 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.8 t -154.24 168.8 25.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.075 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.11 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.27 0.356 . . . . 0.0 111.74 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -46.12 91.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.101 0.476 . . . . 0.0 110.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 84' ' ' GLU . 70.0 mt-30 -68.8 -38.29 79.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.967 -178.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.4 mt -67.51 -36.1 80.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.77 -46.02 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.275 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' HG12 ' A' ' 44' ' ' ILE . 14.0 t70 -64.81 -43.83 91.86 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.93 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.8 ttm -60.92 -41.1 95.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.863 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 24.7 m -62.68 -41.67 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.069 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.2 m -64.66 -45.5 86.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.2 mm -65.32 -35.8 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.257 0.551 . . . . 0.0 110.075 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -57.68 -36.76 72.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.359 175.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 42' ' ' SER . 24.5 mm-40 -67.69 -37.1 81.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.248 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -61.97 -42.61 99.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 110.045 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.8 mmm -58.82 -50.15 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.5 t -57.72 -49.62 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -57.23 -36.59 71.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.817 0.341 . . . . 0.0 111.57 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -67.57 -45.56 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.549 . . . . 0.0 110.078 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.3 mt -68.37 -33.36 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.187 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.2 mm-40 -51.82 -39.21 58.38 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.004 0.43 . . . . 0.0 110.929 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -92.06 -40.11 11.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.12 -50.52 72.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.412 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.75 -2.21 49.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -175.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.45 -38.15 9.31 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -79.11 0.81 26.57 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.842 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.44 32.61 84.77 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.601 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 96.6 mtt180 -107.88 17.75 22.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.298 0.57 . . . . 0.0 110.785 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.91 80.88 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.167 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -83.4 149.65 58.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.692 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.54 -40.04 29.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.971 2.447 . . . . 0.0 112.714 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.324 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 28.1 mttm -64.79 -44.95 88.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.923 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 26.3 tt0 -62.01 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.433 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HA ' ' CE ' ' A' ' 71' ' ' MET . . . -65.68 -34.52 78.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.884 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 84.5 mt -65.15 -28.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.737 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 9.0 t30 -59.71 -56.25 24.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.152 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 66.8 mtm -62.48 -42.17 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.017 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -58.78 6.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -58.82 -49.75 76.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.638 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.34 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.5 p -70.61 -30.3 66.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.419 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.414 ' HB3' HG21 ' A' ' 44' ' ' ILE . 55.8 m -62.94 -36.83 84.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.852 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.9 mtm -76.64 -33.64 58.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.97 91.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.259 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.56 -43.54 68.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.041 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.6 mt -76.91 -46.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.02 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.52 68.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.076 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.25 -33.1 67.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.894 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t -93.95 65.86 3.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HA ' ' NE2' ' A' ' 37' ' ' GLN . 8.7 pt-20 -81.4 82.67 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.825 0.821 . . . . 0.0 111.519 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.69 -56.54 13.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.42 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 -17.11 79.08 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.433 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.17 -122.95 7.76 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.885 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.56 -145.49 31.65 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 m -142.79 145.92 33.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.915 0.357 . . . . 0.0 110.359 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.74 -35.55 81.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -57.44 -32.51 66.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 m -79.05 -39.23 34.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.062 0.458 . . . . 0.0 110.191 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.15 -43.63 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.455 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -68.48 -29.92 68.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.707 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -84.39 -34.9 23.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.304 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 30' ' ' MET . 3.2 p -66.83 -43.26 84.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.006 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.9 mt -55.97 -48.6 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.408 . . . . 0.0 110.545 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.21 83.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.421 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -73.9 -41.72 61.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.781 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtm -66.16 -45.08 82.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.711 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.2 m -57.58 -45.41 85.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.893 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.57 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 38.4 t30 -64.07 -36.81 85.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.068 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.48 88.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.127 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 33.0 m-85 -58.98 -36.71 75.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.284 0.564 . . . . 0.0 109.927 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.23 -21.01 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.936 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.8 mm-40 -95.58 -16.96 21.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.2 p -103.42 -67.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.844 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 t -104.81 -18.78 14.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.75 -14.97 63.46 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.819 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.521 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.5 t -119.04 145.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.3 t -97.62 133.06 40.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.418 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -97.64 96.46 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 109.943 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.607 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.3 tp60 -65.76 -49.25 60.74 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.263 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -43.22 -47.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.373 2.715 . . . . 0.0 114.272 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -72.68 -42.23 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.26 -31.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.546 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.6 m-20 -61.3 -42.69 99.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.48 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -74.95 -45.26 43.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.23 -51.22 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 122.96 0.163 . . . . 0.0 111.269 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.7 p -57.54 -37.37 72.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.96 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 28.7 mm-40 -67.64 -45.99 73.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.83 -40.06 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.329 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.8 t -52.48 -59.7 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 121.742 0.782 . . . . 0.0 110.164 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 m -54.36 -36.59 64.01 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 113.947 -1.479 . . . . 0.0 112.112 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 56.4 ttp -80.17 -49.46 11.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.973 0.416 . . . . 0.0 111.333 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -70.39 -26.18 63.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.83 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 110.681 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -64.1 -43.63 94.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.592 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.21 -6.57 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.636 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.44 -12.65 35.1 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.802 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.7 mtt -78.35 -85.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 110.798 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.93 176.28 2.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.0 t70 68.07 21.39 8.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.916 0.865 . . . . 0.0 109.827 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -97.5 66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.911 1.338 . . . . 0.0 110.183 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.5 m -147.54 109.7 4.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.233 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.623 -177.697 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 65.59 14.64 9.62 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.86 0.464 . . . . 0.0 111.799 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.04 40.22 2.3 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.433 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -131.31 -24.97 2.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.926 0.394 . . . . 0.0 110.241 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p -97.84 -10.5 24.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 111.244 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -90.06 80.64 6.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 109.656 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -65.37 110.47 2.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.46 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.422 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -128.52 141.63 42.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 35.9 Cg_endo -65.6 -20.99 59.96 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.409 2.073 . . . . 0.0 112.494 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -99.46 23.36 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.08 -49.52 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.827 0.346 . . . . 0.0 111.677 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -122.5 146.53 47.74 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.451 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.6 -51.97 7.99 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 123.167 2.578 . . . . 0.0 112.219 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -28.81 73.66 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.172 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.86 -59.64 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.47 -39.91 70.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.641 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.67 -52.33 64.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.05 -32.41 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.643 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.71 -50.9 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.322 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.67 -36.1 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.6 m-80 -60.17 -52.83 63.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.466 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -69.34 -29.94 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.679 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -57.4 -51.19 70.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.211 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.56 -32.05 72.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.3 mm100 -58.24 -33.06 68.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.101 0.477 . . . . 0.0 111.078 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -92.92 -35.97 6.2 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.113 177.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -63.68 -20.24 65.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.076 0.465 . . . . 0.0 110.968 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -101.06 2.65 40.62 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.846 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.445 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.8 mmt -84.72 125.82 70.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.952 -178.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.69 132.17 21.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.729 2.286 . . . . 0.0 111.93 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.438 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 130.8 -28.46 3.72 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.996 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -108.59 -173.19 2.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.996 0.426 . . . . 0.0 110.759 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 t -153.17 163.16 40.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.19 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.436 0.46 . . . . 0.0 111.594 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -61.22 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.49 -30.24 57.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 0.0 110.274 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 34' ' ' THR . 83.6 mt -71.88 -36.53 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.714 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.63 -55.75 28.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.4 m-20 -63.8 -39.47 94.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.0 ttm -63.11 -37.89 89.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.766 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 48.3 t -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 m -66.98 -34.41 77.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.886 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.1 mm -65.57 -39.78 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 109.85 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.48 71.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.352 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.4 mm-40 -62.87 -35.36 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.646 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -69.67 -20.22 63.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.449 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 tpp -88.24 -57.01 3.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.685 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.46 -52.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.612 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -20.15 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.69 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 t -75.36 -45.37 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.16 -29.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -52.95 -38.7 62.28 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.192 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -97.15 -32.8 11.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.345 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.01 -48.41 80.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.54 -6.82 59.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.697 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.85 -33.18 12.93 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.47 -6.67 56.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.859 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.52 49.87 47.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.202 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -124.98 18.98 8.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 0.0 110.235 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -86.46 98.42 11.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.601 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -100.79 146.67 32.48 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.828 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.26 -31.58 47.06 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.066 2.51 . . . . 0.0 112.413 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.6 -35.38 75.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.927 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 62.8 mttt -71.22 -40.92 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.079 0.466 . . . . 0.0 110.067 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.47 -44.35 87.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.627 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.0 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.745 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.7 mt -66.17 -25.45 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.447 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.424 HD22 ' HB2' ' A' ' 119' ' ' GLU . 22.9 t-20 -49.08 -52.43 25.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.6 0.562 . . . . 0.0 111.718 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.42 -59.19 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.211 -173.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.59 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.762 -173.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -61.39 -48.32 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.991 0.424 . . . . 0.0 110.052 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.34 -47.91 74.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.51 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.645 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 78.5 p -65.96 -38.94 89.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.943 -173.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 m -63.14 -34.93 78.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.6 mtm -74.79 -35.71 62.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -61.7 -40.43 95.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.597 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 75' ' ' SER . 34.3 mt-10 -61.99 -32.24 72.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.765 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.5 mt -77.15 -45.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.456 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.19 -29.15 70.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.942 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' HA ' ' HE3' ' A' ' 132' ' ' MET . . . -76.68 -42.54 41.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.565 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -80.56 70.96 7.38 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -71.39 90.56 0.96 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.031 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -72.39 90.54 1.3 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.616 168.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.99 -148.48 19.58 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.4 113.43 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.61 -138.32 2.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.33 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -147.61 132.3 17.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.806 0.336 . . . . 0.0 110.368 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.0 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 m -62.94 -34.07 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 m -81.38 -36.04 30.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 110.03 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 45.1 mttt -57.42 -52.21 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.972 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.401 HG21 ' OG ' ' A' ' 125' ' ' SER . 22.9 p -59.94 -44.78 94.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 111.202 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -63.2 -36.65 84.35 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.136 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 74.0 m -63.35 -47.84 80.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.628 HG21 ' SD ' ' A' ' 101' ' ' MET . 61.7 mt -58.96 -49.14 84.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.556 -178.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.19 73.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 t -72.18 -34.37 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 0.0 109.831 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.89 56.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.645 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.628 ' SD ' HG21 ' A' ' 97' ' ' ILE . 24.2 mtp -65.21 -46.16 81.83 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.458 ' O ' HD11 ' A' ' 106' ' ' LEU . 12.4 p -63.92 -46.33 85.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.089 0.471 . . . . 0.0 110.41 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 36.4 t30 -58.17 -41.47 83.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.944 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.001 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -41.67 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.314 0.578 . . . . 0.0 109.995 174.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.458 HD11 ' O ' ' A' ' 102' ' ' SER . 5.8 mp -61.75 -30.93 71.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.566 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 20.0 mm-40 -84.61 -32.27 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.299 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 p -86.46 -43.93 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 111.4 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -119.35 -37.43 3.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.944 0.402 . . . . 0.0 111.368 -174.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.34 -5.55 52.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.39 154.27 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.33 132.07 70.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.273 0.559 . . . . 0.0 111.223 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -84.09 100.9 11.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.944 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.588 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.2 tp60 -68.69 -49.56 28.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.6 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.8 Cg_endo -46.35 -46.31 17.2 Favored 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.192 2.594 . . . . 0.0 114.103 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.404 ' O ' HD13 ' A' ' 120' ' ' ILE . 15.0 m-85 -70.97 -40.25 72.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.535 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.1 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.589 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.7 m-20 -59.69 -48.73 80.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' HB2' HD22 ' A' ' 70' ' ' ASN . 45.0 mt-10 -65.45 -47.94 74.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.226 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.698 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -53.45 -52.21 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 121.32 -0.152 . . . . 0.0 111.114 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.8 p -58.56 -39.57 80.65 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.9 mm-40 -67.86 -45.0 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.274 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.15 -36.74 82.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.419 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -54.16 -58.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.567 0.699 . . . . 0.0 109.781 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.401 ' OG ' HG21 ' A' ' 94' ' ' THR . 58.2 m -55.76 -41.23 73.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.705 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -72.06 -54.48 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.199 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.88 -27.55 69.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.602 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.78 93.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.077 0.465 . . . . 0.0 111.051 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.01 -36.65 85.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.65 -5.19 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.054 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.08 -4.17 54.14 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.43 ' HE3' ' HA ' ' A' ' 82' ' ' ALA . 63.8 mtt -102.93 -39.48 6.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -114.22 128.51 56.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.334 175.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -75.02 91.79 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' A' ' 136' ' ' SER . 3.3 p -110.37 -54.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.512 ' HB2' ' O ' ' A' ' 135' ' ' VAL . 10.7 t 164.77 133.22 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.215 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.12 178.144 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -63.52 105.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 0.0 110.976 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.95 48.11 2.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.475 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -79.74 -75.96 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.348 0.594 . . . . 0.0 109.674 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -116.17 -53.34 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 65.35 16.93 10.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.55 171.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 t -98.97 159.94 14.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.97 0.414 . . . . 0.0 110.231 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -92.6 139.45 23.67 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.83 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 36.4 Cg_endo -66.66 -16.46 50.6 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.637 2.224 . . . . 0.0 112.992 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -91.53 16.16 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.611 0.243 . . . . 0.0 111.163 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -72.39 -37.11 68.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.0 111.586 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.477 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 15.7 t30 -132.99 129.19 20.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.484 0.659 . . . . 0.0 111.18 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 48.4 Cg_exo -51.58 -39.39 65.52 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 123.934 3.09 . . . . 0.0 111.814 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.86 -43.26 99.19 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.086 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 tp -64.95 -44.57 88.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.596 0.236 . . . . 0.0 110.392 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -60.61 -42.5 96.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.56 -58.73 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -56.62 -33.32 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.512 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.78 -50.16 72.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.255 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 25.8 mmt -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.546 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -56.29 16.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.772 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -68.57 -29.7 68.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.951 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.507 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 81.9 t80 -57.45 -50.63 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.355 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.507 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 51.3 mmm -63.8 -35.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.28 -39.8 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.98 -38.91 17.93 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.069 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -62.97 -34.02 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.679 0.391 . . . . 0.0 111.073 -177.237 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.464 ' HB3' HD22 ' A' ' 38' ' ' LEU . 4.5 p -69.35 -15.24 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -100.8 8.92 42.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.1 mmt -100.81 115.24 65.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.592 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.61 106.63 2.0 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.617 2.212 . . . . 0.0 112.53 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.12 -37.61 0.41 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.332 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.693 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 66.1 m-85 -96.69 144.55 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.512 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -102.76 171.98 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.44 76.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.559 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -62.72 -40.02 95.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.191 0.519 . . . . 0.0 110.791 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -71.5 -40.25 70.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.877 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' CD1' HD12 ' A' ' 27' ' ' LEU . 5.3 tp -64.2 -40.45 96.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.1 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.62 -38.06 89.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.371 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.2 t70 -66.27 -47.89 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.415 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.513 ' HE1' ' CE1' ' A' ' 33' ' ' PHE . 64.7 mtt -50.54 -54.21 24.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.552 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.3 t -58.65 -42.82 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.341 -174.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 m -67.94 -45.72 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.55 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -64.81 -39.67 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.201 0.524 . . . . 0.0 110.048 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -56.21 -39.75 72.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.438 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 42' ' ' SER . 20.2 mm-40 -65.82 -35.02 79.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.768 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -62.67 -44.67 95.65 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.852 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.5 ppp? -72.5 -31.27 65.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.354 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 84.9 t -67.14 -41.67 87.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.624 0.249 . . . . 0.0 110.539 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 30.3 mm-40 -60.98 -30.18 70.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.027 0.442 . . . . 0.0 110.617 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -70.7 -38.75 73.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.782 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.89 -36.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.766 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.6 mm-40 -50.05 -52.28 35.65 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.389 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -74.07 -37.07 64.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.687 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.416 HD13 ' HD2' ' A' ' 65' ' ' LYS . 30.8 tp -56.43 -50.21 72.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.243 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.81 55.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.76 -33.36 11.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.336 0.588 . . . . 0.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -94.39 1.86 55.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.274 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.04 46.92 93.58 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.521 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -123.66 21.64 9.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.213 0.53 . . . . 0.0 110.258 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -74.61 79.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.211 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -92.4 140.82 24.27 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -51.24 -32.12 39.59 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.011 2.474 . . . . 0.0 113.584 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -59.73 -32.76 70.85 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.071 0.463 . . . . 0.0 110.804 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 10.2 mttm -72.47 -35.78 68.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 109.704 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.43 -34.28 60.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.93 -40.63 96.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.01 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.33 75.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.881 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.0 mt -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.642 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.88 -52.45 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.218 0.533 . . . . 0.0 110.21 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.1 mtm -68.94 -49.33 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -56.53 -48.46 77.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.603 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.83 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 -52.4 62.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.086 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -69.52 -29.37 66.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -67.1 -36.98 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.642 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -77.38 -30.43 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.412 . . . . 0.0 110.183 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.14 -45.18 79.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.422 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 0.0 110.796 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.33 -44.78 90.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.504 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.25 -25.83 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.36 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.689 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 t -75.81 78.91 2.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.85 111.12 0.55 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.642 -1.163 . . . . 0.0 113.107 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.79 124.7 8.56 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.162 -1.381 . . . . 0.0 108.03 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.98 -47.85 1.0 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 105.38 101.85 2.74 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.592 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.53 155.38 14.36 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.502 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 29.6 t -64.9 153.67 39.64 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.542 -0.387 . . . . 0.0 110.401 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -47.88 65.32 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t -52.92 -39.62 62.94 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.542 0.526 . . . . 0.0 111.172 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.52 -43.97 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.381 0.61 . . . . 0.0 110.127 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.693 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.6 mtmm -75.98 -38.35 57.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.449 -174.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.254 0.549 . . . . 0.0 110.511 174.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.8 m -70.12 -23.19 62.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.269 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -69.86 -33.06 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG22 ' SD ' ' A' ' 101' ' ' MET . 62.7 mt -71.6 -48.66 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.258 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 p -69.02 -44.67 72.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.358 0.599 . . . . 0.0 110.119 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.94 -36.21 80.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.895 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.586 ' SD ' HG22 ' A' ' 97' ' ' ILE . 25.8 mtp -66.0 -48.25 71.82 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.4 t -59.58 -49.18 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.237 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.624 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 29.7 t30 -60.29 -40.46 90.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.423 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.29 85.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.31 . . . . 0.0 111.487 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.501 0.667 . . . . 0.0 109.313 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.433 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 14.1 tp -61.29 -25.55 67.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.163 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 54.4 mm-40 -94.75 -27.27 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 111.236 -177.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 p -84.75 -58.77 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.726 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 t -103.2 -19.61 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 0.0 110.891 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 95.35 -11.26 69.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 175.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.3 t -127.01 148.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.52 117.6 51.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -53.18 -53.89 50.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.774 -1.103 . . . . 0.0 113.513 -171.244 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.7 Cg_endo -43.55 -42.75 11.18 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 123.752 2.968 . . . . 0.0 115.337 -171.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -73.65 -23.27 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.146 -0.346 . . . . 0.0 111.552 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.9 mt -73.6 -31.59 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 110.154 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -66.16 -39.22 89.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.691 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.6 -55.17 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.953 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.7 mp -56.79 -47.23 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.624 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.4 p -59.99 -43.11 95.37 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -69.23 -36.62 77.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.59 -41.33 79.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.994 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' ILE . 83.8 t -57.94 -50.96 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 t -56.35 -42.74 78.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.166 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 49.3 ttp -77.06 -52.82 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.048 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.38 -26.03 65.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.95 -53.61 53.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 0.0 111.038 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.53 -26.85 68.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.828 0.347 . . . . 0.0 111.042 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.51 -2.14 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.982 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.19 0.03 19.05 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.214 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.28 -93.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.082 0.468 . . . . 0.0 110.929 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -178.42 -178.22 0.6 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.843 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.2 t70 63.77 20.25 12.13 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.789 0.804 . . . . 0.0 111.189 175.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.85 5.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 122.175 0.988 . . . . 0.0 109.638 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 p -93.75 78.14 4.24 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.787 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.142 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.794 -0.523 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -90.26 140.66 29.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.809 0.338 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.04 167.77 33.44 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -66.52 -61.19 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.74 0.27 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -155.31 89.18 1.19 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -83.04 81.57 8.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -96.29 147.48 23.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.51 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 4.6 m -157.62 145.09 13.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.51 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.0 Cg_endo -57.68 -14.18 16.5 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.917 2.412 . . . . 0.0 113.142 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -100.43 19.5 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.072 0.463 . . . . 0.0 109.89 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -70.08 -33.95 72.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.481 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -147.14 150.42 38.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.541 -175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 52.8 Cg_exo -53.73 -50.39 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.968 2.445 . . . . 0.0 111.543 173.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.66 41.89 2.59 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.959 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.98 -55.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.16 -42.02 65.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.614 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.56 -35.35 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.526 -177.345 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -64.77 -37.69 88.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.018 0.437 . . . . 0.0 110.178 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.73 -50.44 72.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.866 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.73 -35.6 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.741 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -62.56 -54.21 43.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -64.7 -31.36 72.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.617 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 63.8 t80 -58.94 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.511 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.483 ' HE2' ' HA ' ' A' ' 24' ' ' MET . 5.2 mmt -66.68 -40.67 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.996 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.25 -31.75 73.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.296 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.54 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.57 -42.15 14.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.396 173.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.45 -36.03 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.045 0.538 . . . . 0.0 111.228 -178.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -72.41 -7.08 47.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.698 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -106.92 0.04 23.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 23.3 mmt -98.08 133.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.301 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.27 143.55 25.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.46 2.107 . . . . 0.0 111.941 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.7 -28.1 6.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.611 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -109.02 -165.84 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -161.41 170.63 19.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.52 68.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.226 0.329 . . . . 0.0 111.479 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -58.87 -46.61 87.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HG3' HG23 ' A' ' 80' ' ' ILE . 1.9 mp0 -64.34 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.119 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.18 -34.02 74.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.641 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.0 -51.26 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.85 0.357 . . . . 0.0 110.29 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 m-20 -62.06 -42.78 99.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.506 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.72 -37.33 86.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.672 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 47.1 t -63.92 -45.01 91.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.4 m -59.53 -44.13 93.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.07 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.4 mm -66.43 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.166 0.508 . . . . 0.0 110.076 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.49 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.577 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.9 mm-40 -66.88 -40.1 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.491 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -61.21 -36.71 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.981 0.42 . . . . 0.0 110.14 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.5 tpp -64.51 -57.2 9.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.9 t -57.26 -46.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.524 -176.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -62.92 -30.5 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 111.616 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -76.55 -31.3 57.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.901 0.381 . . . . 0.0 110.327 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.63 -38.82 79.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.7 mm100 -55.83 -40.14 72.4 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.51 175.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.8 m -70.42 -43.13 70.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.895 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.64 -43.4 93.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.422 0.154 . . . . 0.0 111.313 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.82 61.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.94 0.4 . . . . 0.0 111.624 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.89 -31.83 13.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.392 0.615 . . . . 0.0 109.812 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -85.41 -14.83 45.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.624 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.43 29.11 71.83 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.4 34.76 5.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.208 . . . . 0.0 111.389 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.522 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 1.7 m -65.78 -70.87 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.689 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.436 ' HB2' ' HD2' ' A' ' 63' ' ' PRO . 88.3 p 50.8 160.46 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 124.567 1.147 . . . . 0.0 112.817 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 62' ' ' SER . 42.0 Cg_endo -69.11 -15.74 39.76 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 121.627 1.551 . . . . 0.0 112.116 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.647 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.1 t-20 -74.76 -39.59 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.728 -175.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 61' ' ' THR . 0.8 OUTLIER -69.05 -39.49 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -39.4 92.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.236 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.647 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -68.06 -34.12 75.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.103 0.478 . . . . 0.0 110.286 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.59 -43.3 60.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.572 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.1 mt -60.32 -33.54 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.209 176.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.08 -42.96 73.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.291 0.567 . . . . 0.0 111.024 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.4 mtm -79.49 -44.9 20.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.538 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.53 -31.32 70.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.44 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -64.03 -44.31 92.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 0.0 110.691 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.76 88.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.311 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.3 p -72.21 -36.57 69.2 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -65.66 -38.36 89.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.8 mtm -69.89 -33.96 72.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.159 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.87 83.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.95 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 75' ' ' SER . 68.7 mm-40 -56.93 -45.4 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 0.0 110.293 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.455 HG23 ' HG3' ' A' ' 37' ' ' GLN . 83.9 mt -68.91 -45.71 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.004 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.25 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.652 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.55 -33.71 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -102.81 72.58 1.22 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.23 148.45 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.107 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -113.24 -72.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.963 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.92 -63.27 1.83 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.707 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.73 110.87 3.13 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.832 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 82.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.262 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.8 p 177.57 123.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.517 0.327 . . . . 0.0 110.442 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.1 tp -86.31 -26.97 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.971 0.415 . . . . 0.0 110.307 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -57.09 -44.65 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.3 m -76.46 -30.65 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.151 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 89' ' ' SER . 64.6 mttp -61.36 -46.42 90.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.3 p -60.3 -45.09 94.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.817 0.341 . . . . 0.0 111.524 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -34.49 78.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -65.77 -39.84 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.746 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' ' 101' ' ' MET . 68.3 mt -65.32 -43.92 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 0.0 110.059 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.37 89.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.998 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -69.06 -44.2 73.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.022 0.439 . . . . 0.0 110.6 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.66 92.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.963 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.8 mtm -67.32 -44.8 78.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t -57.62 -46.29 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.263 0.554 . . . . 0.0 109.885 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 16.4 t30 -62.26 -39.73 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.04 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.56 81.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.712 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.427 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 17.3 t80 -70.68 -30.57 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.492 0.663 . . . . 0.0 109.349 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.85 -25.97 67.85 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.575 174.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 48.5 mm-40 -96.77 -12.94 23.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.491 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.7 p -99.17 -31.01 11.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.043 0.449 . . . . 0.0 110.982 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.9 p -123.96 -42.26 2.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.6 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.83 -1.93 38.77 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 t -120.54 156.48 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.43 122.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.673 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -101.56 101.44 12.01 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -78.88 -46.17 1.79 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.23 -50.69 5.29 Favored 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 123.106 2.537 . . . . 0.0 114.363 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.22 -40.72 86.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 31.6 mt -61.97 -37.68 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -60.41 -50.88 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.62 -47.45 84.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.93 -51.94 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.46 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.7 p -58.91 -43.01 90.96 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.34 -30.54 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.116 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 mp -75.53 -37.87 59.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.999 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.5 t -55.47 -52.3 48.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.08 0.467 . . . . 0.0 110.059 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -57.37 -50.35 73.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.974 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.5 ttp -64.29 -49.57 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.788 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -70.81 -28.61 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.18 81.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 111.668 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.8 60.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -104.1 9.04 50.15 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.0 mtt -108.72 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.212 0.529 . . . . 0.0 109.958 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.28 165.86 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.052 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.32 94.27 3.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.909 0.861 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.11 -1.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.246 1.022 . . . . 0.0 109.212 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.4 m -82.83 76.69 9.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.384 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.226 -179.676 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -72.28 -45.23 60.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.847 0.356 . . . . 0.0 110.478 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.7 44.79 3.29 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.308 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -155.26 -47.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -68.36 88.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.296 0.569 . . . . 0.0 111.036 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -78.77 127.37 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.126 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.61 115.99 4.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.858 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.446 ' HB ' HG23 ' A' ' 11' ' ' THR . 1.5 m -132.7 134.57 24.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 176.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.61 -12.81 20.33 Favored 'Trans proline' 0 CA--C 1.526 0.093 0 C-N-CA 122.699 2.266 . . . . 0.0 113.527 -172.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.427 ' CD1' HD12 ' A' ' 69' ' ' LEU . 6.3 m95 -103.59 13.03 34.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.129 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.446 HG23 ' HB ' ' A' ' 8' ' ' THR . 9.5 p -75.74 -54.39 7.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.0 111.243 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.46 135.31 19.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.894 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -64.39 -36.29 45.54 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.417 2.078 . . . . 0.0 111.879 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.29 69.92 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.485 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.82 -46.01 73.06 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.97 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.096 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.75 -52.51 64.73 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.603 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -68.52 -36.76 79.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.378 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -59.53 -50.0 75.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.435 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 18.9 mmt -64.07 -31.27 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.537 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.9 m-80 -68.3 -53.85 21.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.602 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.4 m -63.42 -29.21 70.54 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.019 0.438 . . . . 0.0 110.658 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.58 -51.38 70.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.301 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mmt -71.07 -32.48 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.84 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 55.4 mt-30 -58.2 -33.13 68.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 110.347 176.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -90.25 -40.9 5.66 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.182 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.3 -34.91 74.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.595 0.358 . . . . 0.0 110.842 -177.205 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -69.79 -8.22 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -118.76 12.96 13.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.044 0.45 . . . . 0.0 110.761 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -94.16 138.31 22.6 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.05 139.55 39.49 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.91 2.406 . . . . 0.0 113.009 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.6 -39.94 2.63 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.714 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 95.8 m-85 -88.91 -175.97 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.0 t -156.76 168.37 27.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.942 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.11 68.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -65.87 -37.69 86.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.446 HE21 ' HG2' ' A' ' 85' ' ' GLU . 76.4 mt-30 -74.54 -34.91 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.822 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 34' ' ' THR . 91.0 mt -65.15 -39.64 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.63 -49.68 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.773 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.37 -49.38 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.934 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.376 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.9 t -64.56 -36.83 85.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.895 -178.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.2 m -65.46 -41.35 93.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.2 mm -66.61 -37.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.123 0.487 . . . . 0.0 109.845 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB2' ' SD ' ' A' ' 20' ' ' MET . . . -58.09 -38.9 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.549 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.3 mm-40 -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.575 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t -62.19 -37.27 84.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.249 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 mtp -68.57 -48.21 64.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.539 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.2 t -57.54 -47.84 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.962 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -64.37 -26.31 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 t -76.77 -46.92 23.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.71 -30.33 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.136 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.7 mm-40 -50.53 -39.46 49.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.265 176.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -96.94 -37.98 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.83 -42.43 93.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.73 0.3 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.42 -13.27 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.681 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.54 -31.0 15.38 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -83.01 -4.81 58.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.638 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.62 31.96 81.68 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.572 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -110.85 19.09 18.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.526 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 10.0 t -99.72 68.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.342 1.068 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -74.35 159.61 83.26 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.27 -32.36 10.48 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.512 2.808 . . . . 0.0 113.3 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -60.52 -34.41 74.06 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.456 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.558 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -65.7 -45.63 82.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -31.66 71.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.53 -42.71 99.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.64 -48.6 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.788 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 2.7 pp -68.96 -21.51 64.18 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.022 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.519 ' N ' HD11 ' A' ' 69' ' ' LEU . 21.0 t-20 -51.73 -49.24 62.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.207 0.527 . . . . 0.0 109.753 175.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.4 mtm -66.09 -54.06 30.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.389 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 72' ' ' ARG . 30.5 mmt180 -67.23 -30.01 69.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.18 -176.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -61.71 -54.75 38.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.8 82.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.672 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 24.9 p -73.61 -22.61 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.9 p -68.93 -39.27 79.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.332 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.38 -28.7 64.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.124 174.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.9 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' SER . 7.6 mm-40 -54.74 -31.75 58.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.454 0.645 . . . . 0.0 111.033 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.0 mt -93.0 -47.02 13.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.341 -177.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.79 63.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.176 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.54 -2.28 55.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 111.068 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t -121.02 87.91 2.84 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -88.09 93.81 9.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.645 0.736 . . . . 0.0 111.723 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.446 ' HG2' HE21 ' A' ' 37' ' ' GLN . 14.7 pt-20 -85.58 -22.41 28.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.199 172.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.21 -68.44 1.13 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.136 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.59 -174.08 21.18 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.06 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.21 -97.97 0.64 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.502 ' HB3' ' OG1' ' A' ' 92' ' ' THR . 40.4 t -177.84 156.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.72 -32.5 73.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.138 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 89' ' ' SER . 28.5 m -65.12 -43.67 91.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.51 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.2 mtmm -81.58 -23.79 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.132 -172.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 p -68.77 -38.65 80.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.4 m -68.35 -38.15 81.16 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.358 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 72.7 m -54.58 -49.48 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.589 177.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.566 HG22 ' SD ' ' A' ' 101' ' ' MET . 66.2 mt -60.5 -49.51 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.59 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.684 -176.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -68.48 -40.42 80.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.47 -36.87 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.669 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.566 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.4 mtp -66.07 -48.6 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.686 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.95 -46.71 88.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.561 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.4 t30 -62.11 -36.6 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.112 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.92 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.228 . . . . 0.0 110.956 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 31.9 m-85 -58.2 -44.1 87.94 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.277 0.56 . . . . 0.0 110.094 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.53 -32.47 74.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.532 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 29.5 mm-40 -73.7 -33.52 64.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 p -96.28 -70.14 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 t -100.48 -17.95 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.745 -173.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.55 -15.13 62.17 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.883 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 5.2 t -115.25 139.82 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -100.97 138.46 25.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.195 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -84.51 110.64 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.5 tp60 -79.31 -51.47 1.25 Allowed Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 9.9 Cg_endo -50.7 -52.88 8.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 123.024 2.483 . . . . 0.0 114.448 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -74.34 -28.12 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.473 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.6 mt -64.73 -31.03 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.986 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -70.41 -18.05 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 22.1 mt-10 -96.48 -53.12 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.608 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.7 mp -49.68 -47.42 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 123.336 0.397 . . . . 0.0 111.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -56.02 -48.69 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -68.74 -34.68 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.491 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.4 mt -66.91 -45.09 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.608 HG21 ' O ' ' A' ' 120' ' ' ILE . 97.6 t -53.45 -52.33 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.002 0.429 . . . . 0.0 110.111 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -57.92 -52.38 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.355 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.22 -47.56 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.727 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -67.94 -37.83 82.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.679 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -62.75 -43.55 98.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 111.448 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.72 -24.8 67.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.714 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 135' ' ' VAL . . . -81.6 -9.16 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.567 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -126.06 18.81 6.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.396 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 52.2 mtt -81.6 -38.6 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -163.7 118.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.1 t70 59.96 99.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 O-C-N 124.295 0.997 . . . . 0.0 113.059 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 130' ' ' ALA . 7.1 p -168.67 20.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 57.5 m 63.95 43.7 5.13 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.689 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.146 178.043 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -101.32 -62.45 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.054 0.454 . . . . 0.0 109.961 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.6 46.1 0.91 Allowed Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.89 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.31 -17.48 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.108 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -70.99 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.968 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -67.59 99.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.426 ' C ' ' HG1' ' A' ' 8' ' ' THR . 9.5 t -89.44 153.28 20.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.39 0.614 . . . . 0.0 111.381 -175.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.524 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 6.4 m -153.64 141.93 14.11 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.8 Cg_endo -56.0 -15.59 14.14 Favored 'Trans proline' 0 N--CA 1.476 0.466 0 C-N-CA 123.31 2.673 . . . . 0.0 113.721 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.527 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 8.7 m95 -100.49 3.4 42.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.833 -176.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -67.25 -24.26 65.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.139 0.495 . . . . 0.0 110.735 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.51 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.5 t30 -140.98 131.72 13.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.054 177.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.51 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 19.0 Cg_endo -63.26 -31.32 74.05 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.441 2.761 . . . . 0.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.77 88.12 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.27 -46.42 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.55 -40.64 83.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.196 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.39 -59.08 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -64.49 -35.77 82.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.42 -48.8 80.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.717 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.0 mmt -64.67 -33.17 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 111.043 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -65.91 -54.53 25.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.813 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -64.05 -31.7 72.99 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.773 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.31 -53.25 59.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.395 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.439 ' HE3' ' HA ' ' A' ' 24' ' ' MET . 2.5 mmt -64.38 -38.08 89.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -56.78 -43.88 81.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.277 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.69 -35.97 38.94 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.827 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -32.83 74.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.611 0.243 . . . . 0.0 110.836 -176.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 p -72.94 -4.13 30.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.736 0.303 . . . . 0.0 111.744 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -113.56 7.42 17.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.283 0.564 . . . . 0.0 109.842 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.574 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.1 mmt -93.0 145.0 29.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.336 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.26 130.81 9.36 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.822 2.348 . . . . 0.0 111.629 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 133.99 -41.03 1.51 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.648 176.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.87 -171.01 1.82 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 111.523 -175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.545 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 12.1 t -152.89 169.98 21.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.36 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.257 0.348 . . . . 0.0 111.48 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 t -61.77 -43.47 98.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.79 -31.67 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 34' ' ' THR . 95.2 mt -68.17 -39.56 82.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.693 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.95 -47.8 79.83 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.343 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.448 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.051 178.424 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.9 ttm -61.7 -43.02 99.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 39.2 t -61.07 -42.54 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.341 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -61.61 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.243 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.8 mm -64.94 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.67 -36.34 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.665 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.2 mm-40 -64.4 -41.74 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.1 p -67.62 -25.2 65.63 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.555 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.481 ' O ' HG13 ' A' ' 52' ' ' ILE . 53.8 mtp -75.09 -50.85 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.235 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.55 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 57.9 t -60.41 -44.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -65.88 -27.09 67.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.797 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.7 m -76.45 -37.1 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.231 0.538 . . . . 0.0 110.135 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 48' ' ' MET . 62.9 mt -71.97 -29.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.317 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.0 mm-40 -54.49 -41.37 69.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.149 0.499 . . . . 0.0 109.911 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -73.02 -38.26 66.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.532 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.14 -42.59 91.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.563 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.895 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.12 26.48 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.721 0.772 . . . . 0.0 108.943 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.63 -13.35 54.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.799 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.39 41.32 96.56 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 23.9 8.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.086 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.9 58.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.559 0.695 . . . . 0.0 110.726 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.9 t -80.76 146.95 61.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.692 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.2 -24.59 11.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.167 2.578 . . . . 0.0 113.041 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 t-20 -68.68 -24.29 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.935 0.397 . . . . 0.0 111.389 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.2 mptt -81.77 -33.96 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 7.0 mp -77.7 -27.26 50.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.07 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -66.13 -33.4 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.371 0.605 . . . . 0.0 109.878 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.74 63.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.116 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.6 mt -74.14 -3.45 29.77 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.962 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -88.81 -61.09 1.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.0 mtm -62.52 -50.27 72.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.605 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.97 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.336 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -59.99 -44.28 94.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.209 0.528 . . . . 0.0 109.837 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.388 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.9 p -71.14 -36.81 72.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.9 m -63.52 -38.09 89.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.851 0.357 . . . . 0.0 110.938 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -71.4 -32.88 68.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.852 0.358 . . . . 0.0 110.19 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.56 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.016 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 75' ' ' SER . 43.6 mt-10 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.586 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.24 -44.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.77 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.29 67.85 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.328 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.443 ' HA ' ' HE1' ' A' ' 132' ' ' MET . . . -61.93 -18.18 59.41 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.612 0.57 . . . . 0.0 111.621 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -81.6 82.65 7.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 170.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 14.5 pt-20 -62.04 -7.43 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.483 -168.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.52 153.92 29.2 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.53 -93.8 0.16 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.845 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.45 30.51 0.86 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.971 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.28 160.21 9.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.248 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 m -78.71 177.64 8.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.884 0.373 . . . . 0.0 111.367 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.437 ' O ' HG22 ' A' ' 94' ' ' THR . 56.9 tp -56.31 -38.18 70.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.656 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 p -56.33 -35.44 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.871 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 m -82.76 -37.15 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.445 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.475 ' NZ ' ' HA ' ' A' ' 84' ' ' GLU . 43.8 mttt -59.57 -56.96 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.879 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.5 t -57.68 -39.39 77.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 111.836 -173.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.7 m -68.11 -34.26 76.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.906 0.384 . . . . 0.0 110.957 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 66.2 m -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.577 HG23 ' SD ' ' A' ' 101' ' ' MET . 69.6 mt -58.71 -50.21 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 0.0 110.013 176.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.467 ' HB3' ' CG2' ' A' ' 121' ' ' THR . . . -60.7 -40.05 90.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.635 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -63.27 -39.45 94.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 0.0 110.043 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.73 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.652 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.577 ' SD ' HG23 ' A' ' 97' ' ' ILE . 29.5 mtp -63.63 -46.44 85.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.112 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -58.69 -49.71 76.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.338 0.59 . . . . 0.0 110.047 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.1 t30 -61.22 -41.78 97.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.507 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.38 93.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.5 -31.06 69.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.535 0.684 . . . . 0.0 109.382 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.63 -24.9 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.046 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.8 mm-40 -96.49 -15.87 21.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.559 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -93.14 -58.97 2.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.982 0.42 . . . . 0.0 111.481 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -109.72 -11.66 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.28 61.96 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.074 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.07 157.1 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.18 126.1 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.489 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 20.7 t-20 -107.49 123.79 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.486 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 28.3 tp60 -82.24 -56.96 0.51 Allowed Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.489 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 25.3 Cg_exo -61.1 -30.89 90.01 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.185 1.923 . . . . 0.0 113.995 -167.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -68.14 -30.13 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 0.0 110.069 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.55 -33.05 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.995 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.05 -46.44 84.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.382 176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.422 ' O ' HD11 ' A' ' 123' ' ' LEU . 47.5 mt-10 -58.95 -52.45 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.045 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.645 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -54.49 -53.59 29.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.627 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 4.6 p -59.33 -44.79 92.59 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -173.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -64.86 -32.72 74.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.996 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -77.94 -37.34 47.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.316 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.7 t -52.67 -61.74 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.78 0.8 . . . . 0.0 110.026 175.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 75.4 m -57.88 -37.19 73.51 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.858 -177.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -72.51 -50.47 25.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.398 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -69.35 -24.97 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.71 0.291 . . . . 0.0 111.5 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.476 0.655 . . . . 0.0 110.888 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 125' ' ' SER . 76.6 mm-40 -67.84 -21.45 65.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.037 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.39 6.98 12.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.53 -2.39 5.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.111 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.443 ' HE1' ' HA ' ' A' ' 82' ' ' ALA . 77.4 mtm -130.35 -65.1 0.82 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.917 0.389 . . . . 0.0 111.604 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 135' ' ' VAL . 8.7 t-20 -69.09 169.84 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.882 -172.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.31 32.54 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.109 0.957 . . . . 0.0 111.039 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 133' ' ' ASN . 7.5 p -112.98 9.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 122.124 0.964 . . . . 0.0 108.587 173.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.0 m -76.36 80.85 3.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.545 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.589 179.017 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.985 -0.446 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -67.63 -36.99 81.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.84 60.19 2.06 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.767 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -74.93 -40.9 60.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.218 0.533 . . . . 0.0 109.78 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -144.79 79.08 1.59 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.888 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -156.65 114.86 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.2 t -104.97 125.7 51.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.58 0.705 . . . . 0.0 110.684 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.455 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.2 m -153.33 139.0 11.94 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 20.3 Cg_endo -61.41 -17.67 54.79 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.839 2.359 . . . . 0.0 112.314 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -89.85 3.95 51.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.947 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -71.74 -27.18 62.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.036 0.445 . . . . 0.0 110.669 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.475 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 9.4 t30 -137.26 129.69 16.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.934 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 10.7 Cg_endo -59.53 -30.33 92.18 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 123.254 2.636 . . . . 0.0 111.825 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.98 94.27 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 tp -70.86 -39.09 73.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.678 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.34 -52.09 66.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.425 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.47 -46.56 88.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.653 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -56.74 -44.22 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -59.92 -48.46 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.678 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 14.1 mmm -68.0 -39.06 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.294 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -59.93 -47.47 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.9 t -68.19 -29.47 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.569 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.8 t80 -59.03 -49.6 77.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.474 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.0 mmm -63.95 -36.34 83.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.768 -176.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.18 -31.24 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.42 -25.43 30.75 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.019 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.533 0.206 . . . . 0.0 111.243 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -67.83 -13.99 62.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.249 0.547 . . . . 0.0 110.986 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -93.83 0.5 56.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.998 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.418 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 20.5 mmt -100.54 120.93 54.74 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.671 -176.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.21 2.18 7.02 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.11 2.54 . . . . 0.0 113.05 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.43 -18.57 73.47 Favored Glycine 0 C--N 1.309 -0.948 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.575 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -126.98 175.26 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.093 0.473 . . . . 0.0 111.067 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 t -125.89 168.73 13.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.604 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.508 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.47 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -60.27 -41.1 92.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.372 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -37.86 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -50.13 73.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.239 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.9 m-20 -64.77 -46.15 83.35 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.458 ' SD ' ' HE2' ' A' ' 23' ' ' PHE . 46.6 ttm -58.83 -44.12 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.611 -175.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 8.2 t -61.27 -45.36 94.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.971 0.415 . . . . 0.0 110.084 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.7 m -65.87 -43.22 88.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.344 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 40' ' ' ASP . 50.9 mm -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.25 0.547 . . . . 0.0 110.137 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 48' ' ' MET . . . -57.7 -39.71 77.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.731 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 13.3 mm-40 -68.62 -25.06 64.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.721 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -64.09 -43.75 94.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.594 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.7 ppp? -75.93 -26.74 57.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.844 0.354 . . . . 0.0 110.132 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 45' ' ' ALA . 80.9 t -65.79 -42.35 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.438 . . . . 0.0 110.379 174.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 13.9 mm100 -68.73 -16.12 63.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -75.36 -42.69 53.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.76 -29.61 47.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -49.18 -51.19 34.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -79.09 -36.48 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.7 -52.26 65.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.629 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.54 -11.64 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.213 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.88 -29.92 13.43 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.087 0.47 . . . . 0.0 109.862 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -89.96 -11.65 41.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 37.87 40.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.614 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -108.86 12.77 25.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -69.64 95.16 0.84 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.766 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -108.52 150.88 41.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.279 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.0 -40.67 58.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.124 2.549 . . . . 0.0 112.496 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -55.77 -43.33 76.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 32.1 mttt -70.21 -41.48 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.506 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.68 -36.67 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -64.22 -34.3 77.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.503 . . . . 0.0 110.09 175.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -72.56 -45.85 57.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.63 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.9 mt -58.2 -32.2 68.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.2 t-20 -53.69 -53.27 54.38 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.526 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 71.9 mtm -74.6 -41.54 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.201 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 7.3 mmm180 -61.87 -41.75 98.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.586 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -58.5 -52.29 66.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.171 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.82 72.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.357 . . . . 0.0 111.666 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.9 p -73.15 -20.74 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 86.7 p -68.79 -41.72 78.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.061 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' A' ' 77' ' ' MET . 4.0 mpp? -71.12 -30.68 66.81 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.74 95.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.218 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -53.15 -43.38 66.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.334 0.588 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 82.1 mt -78.7 -46.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.256 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.9 -21.57 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -85.29 89.29 7.62 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.76 -23.8 13.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.915 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.16 -23.3 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.23 -4.94 70.05 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.404 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.1 50.36 0.01 OUTLIER Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.696 -1.24 . . . . 0.0 113.526 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.65 -98.21 0.24 Allowed Glycine 0 CA--C 1.519 0.326 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 t -76.3 160.32 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.282 0.563 . . . . 0.0 112.23 -171.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.4 tp -99.47 -36.55 9.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.995 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -67.63 -30.82 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -66.96 -30.1 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.208 0.527 . . . . 0.0 110.082 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 97' ' ' ILE . 52.1 mttp -73.14 -50.07 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.34 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.503 HG21 ' OG ' ' A' ' 125' ' ' SER . 20.2 p -62.12 -36.93 83.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.55 -177.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 m -67.2 -42.39 84.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.28 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.418 ' HB2' ' CG ' ' A' ' 30' ' ' MET . 8.0 p -72.46 -34.28 67.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.175 -176.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 101' ' ' MET . 73.3 mt -55.52 -49.74 71.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.553 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -67.97 -42.75 80.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.14 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 97' ' ' ILE . 3.4 ttp -67.69 -42.76 81.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.316 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -61.99 -46.65 88.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.307 0.575 . . . . 0.0 109.924 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.58 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.9 t30 -58.98 -38.81 79.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.944 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.58 -26.97 66.54 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.468 0.652 . . . . 0.0 109.494 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 37.4 mt -69.36 -28.98 66.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.623 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.6 mm-40 -92.72 -12.91 30.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 111.191 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -99.68 -39.43 8.27 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -143.28 3.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.616 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.66 71.54 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.487 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 112' ' ' VAL . 20.6 t -131.29 157.27 43.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.415 ' N ' HG13 ' A' ' 111' ' ' VAL . 94.6 t -113.67 107.19 22.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.035 173.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.501 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.9 t-20 -87.3 81.02 8.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -59.67 -47.05 98.45 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.212 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.3 Cg_exo -45.16 -51.04 8.2 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.671 2.247 . . . . 0.0 113.678 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.01 -35.82 72.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.717 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 113' ' ' ASN . 17.5 mt -62.95 -35.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.2 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.602 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 78.2 m-20 -62.68 -47.2 84.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.388 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.7 mt-10 -62.71 -53.99 46.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.809 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.54 -49.06 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.012 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.5 p -59.62 -38.18 80.62 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -66.74 -39.31 87.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 109.942 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 79.8 mt -70.41 -37.87 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.998 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 120' ' ' ILE . 47.9 t -52.46 -61.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.045 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.503 ' OG ' HG21 ' A' ' 94' ' ' THR . 29.0 m -54.07 -45.66 71.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.07 -51.59 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -66.3 -32.6 74.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.82 63.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.771 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -65.88 -34.93 79.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.383 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.9 -11.21 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.44 -17.83 27.8 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 65.2 mtt -86.29 -60.34 2.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.169 -0.515 . . . . 0.0 109.985 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -104.22 145.81 29.68 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.584 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.97 88.09 3.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.562 0.696 . . . . 0.0 110.654 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 p -100.77 7.06 9.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 122.06 0.933 . . . . 0.0 109.746 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 t -110.53 19.05 19.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.455 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.2 -179.641 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -84.79 111.44 19.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.824 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.64 26.98 10.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.791 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.72 -49.82 64.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -75.86 -48.06 22.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.025 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.9 p80 46.46 27.16 0.58 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.08 0.952 . . . . 0.0 112.894 177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 m -119.86 93.05 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.343 0.592 . . . . 0.0 111.396 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 11' ' ' THR . 0.7 OUTLIER -105.57 163.42 17.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.257 171.645 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.4 -14.94 42.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 121.628 1.552 . . . . 0.0 111.726 174.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -102.69 10.98 38.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 8' ' ' THR . 8.0 t -60.09 -40.19 88.72 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.219 0.533 . . . . 0.0 111.402 -177.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -132.49 143.66 49.72 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.748 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -57.42 -43.27 53.23 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.127 2.551 . . . . 0.0 112.133 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.8 93.52 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.877 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -57.9 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.48 -46.87 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.049 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 42.6 tt0 -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -77.33 -28.99 53.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -62.44 -58.68 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.512 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -73.86 -21.31 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.896 -177.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -59.94 -58.51 8.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 172.404 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 p -66.97 -30.54 70.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.517 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.512 ' HB3' ' HA ' ' A' ' 20' ' ' MET . 67.8 t80 -54.45 -52.13 62.81 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.307 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.064 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.01 -33.33 75.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -85.73 -35.21 11.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.029 175.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -61.51 -37.07 82.36 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.233 0.613 . . . . 0.0 110.192 -179.113 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB3' HD21 ' A' ' 38' ' ' LEU . 5.6 p -71.66 -12.59 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -100.62 -0.27 37.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.048 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.6 mmt -92.94 133.2 29.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.908 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -70.29 115.47 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.397 2.065 . . . . 0.0 111.757 174.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.85 -53.51 0.49 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.991 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 54.0 m-85 -83.78 131.84 34.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.372 0.606 . . . . 0.0 112.32 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 86' ' ' GLY . 1.5 t -84.53 158.6 20.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.569 173.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.38 70.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.707 0.289 . . . . 0.0 111.528 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -66.11 -35.16 79.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.413 HE22 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -76.27 -42.45 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 109.614 175.724 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 27' ' ' LEU . 8.6 tp -57.25 -42.88 82.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.11 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.77 -43.82 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.332 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.463 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -68.74 -44.58 73.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.759 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -58.75 -40.58 84.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.978 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.62 -36.59 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.416 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -76.59 -38.8 54.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.3 mm -64.55 -38.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.046 0.45 . . . . 0.0 110.228 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -56.5 -32.07 64.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.177 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -64.74 -32.62 74.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 m -64.84 -40.97 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 48.6 tpp -65.63 -45.34 83.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.249 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.7 t -55.56 -50.55 65.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.28 -36.93 78.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.535 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 39.0 m -64.91 -44.61 89.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.182 0.515 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.37 -34.67 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.162 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.19 -45.89 83.34 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -67.6 -37.86 83.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.97 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 51' ' ' SER . 64.4 mt -59.07 -45.25 91.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.755 0.312 . . . . 0.0 111.499 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.32 -23.7 43.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.914 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.95 -30.32 18.89 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.419 0.628 . . . . 0.0 109.479 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HB3' HH11 ' A' ' 60' ' ' ARG . 27.3 mt-30 -94.94 -6.58 42.18 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.77 50.04 67.55 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.948 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.519 HH11 ' HB3' ' A' ' 58' ' ' GLN . 74.7 mtt85 -128.12 16.36 6.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 111.559 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -72.95 111.31 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.151 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HG3' ' A' ' 65' ' ' LYS . 7.8 m -128.66 153.24 79.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.826 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.63 -41.39 74.27 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.139 2.559 . . . . 0.0 113.015 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -65.45 -35.99 82.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.086 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.567 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 24.3 mttp -64.19 -46.45 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.195 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.9 mt -69.0 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.909 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.18 -32.18 68.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 68.7 mt -63.06 -31.86 73.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -55.21 -58.65 6.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.91 -43.05 99.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.51 -45.24 94.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.2 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.54 -47.07 86.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 123' ' ' LEU . . . -62.06 -55.24 31.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.579 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.563 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 16.1 p -61.44 -42.11 98.25 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 p -62.24 -39.59 93.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.651 0.262 . . . . 0.0 111.145 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.7 mtm -71.22 -37.65 72.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 110.183 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.07 92.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.498 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 75' ' ' SER . 50.2 mt-10 -56.0 -44.86 79.03 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.026 0.441 . . . . 0.0 110.934 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -62.9 -49.86 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -28.24 69.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.585 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.71 -25.1 30.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -54.89 -61.22 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.359 0.599 . . . . 0.0 111.824 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' HB2' HE22 ' A' ' 37' ' ' GLN . 42.3 mt-10 -143.84 176.5 9.21 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.219 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.43 -60.26 1.7 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.316 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.497 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . 64.7 32.66 84.93 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.279 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.65 -29.24 5.93 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.998 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.92 135.64 6.84 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.517 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 24.2 t -76.27 172.66 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 111.09 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -35.59 80.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -174.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.6 m -52.19 -31.33 31.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.588 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.3 m -91.0 -33.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.031 0.443 . . . . 0.0 110.78 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.4 mtmm -75.9 -31.66 59.29 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -63.58 -24.88 67.99 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.321 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -87.71 -38.11 16.11 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.766 0.317 . . . . 0.0 111.312 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -64.5 -32.7 74.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.703 -176.409 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.512 HG22 ' SD ' ' A' ' 101' ' ' MET . 71.8 mt -59.05 -52.79 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.476 176.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.04 72.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.554 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -71.29 -40.31 70.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.46 74.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.768 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.512 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.3 mtp -63.87 -41.73 97.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.0 m -61.14 -44.85 96.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.479 0.656 . . . . 0.0 110.024 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -68.21 -35.01 77.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.704 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.95 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 3.4 t80 -65.83 -30.96 71.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 109.463 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.507 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 9.7 tp -63.63 -22.74 67.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.131 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 58.2 mm-40 -96.89 -28.2 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.687 0.279 . . . . 0.0 111.375 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 p -81.63 -54.15 5.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.015 0.436 . . . . 0.0 111.678 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -115.46 -7.88 12.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 80.59 15.26 78.41 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.758 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.6 t -128.41 155.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.1 114.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.425 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 18.1 t-20 -90.12 90.34 8.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.633 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 22.2 tp60 -65.48 -45.61 68.85 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.491 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.3 Cg_endo -44.82 -47.33 11.84 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.335 2.69 . . . . 0.0 113.843 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -71.95 -33.95 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 110.457 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.18 -35.06 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.461 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 24.1 m-80 -61.89 -31.37 71.66 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.42 ' O ' HD21 ' A' ' 123' ' ' LEU . 45.9 mt-10 -75.95 -54.06 7.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -177.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.9 -45.64 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -57.03 -33.51 67.27 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 12.2 mm100 -67.96 -45.55 73.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 74' ' ' ALA . 1.3 mm? -72.04 -30.17 64.91 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.706 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.3 t -60.29 -55.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.182 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.1 t -58.17 -39.38 78.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.527 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.9 mtp -66.05 -66.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.916 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 42.7 m-85 -67.11 -27.23 67.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.246 -170.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.1 -58.62 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.153 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.55 -29.14 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.259 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.35 -8.51 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 111.224 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -103.37 -3.69 47.32 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.0 mtt -99.29 -78.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.256 0.551 . . . . 0.0 110.505 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -174.91 -171.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.819 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.7 t70 63.0 27.86 16.06 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.931 0.872 . . . . 0.0 110.042 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.4 p -94.82 -14.61 7.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.292 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.6 m -91.42 84.25 5.54 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.969 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.789 179.605 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 m -112.76 25.38 11.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.899 0.381 . . . . 0.0 110.748 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.42 79.0 1.1 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -139.49 19.05 2.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.994 0.426 . . . . 0.0 110.403 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -114.94 120.31 39.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.261 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -76.51 119.71 20.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -133.12 176.19 8.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 111.999 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.502 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m -108.23 141.79 23.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.228 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 14.5 Cg_endo -56.27 -23.57 46.54 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.293 2.662 . . . . 0.0 113.676 -176.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.41 ' HB2' HD23 ' A' ' 66' ' ' LEU . 6.8 m95 -94.88 14.97 19.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.354 -0.216 . . . . 0.0 111.404 -173.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -69.92 -44.02 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 111.665 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -130.84 144.46 53.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.573 0.225 . . . . 0.0 110.869 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 56' ' ' ALA . 51.8 Cg_exo -57.3 -35.46 98.88 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.033 2.489 . . . . 0.0 111.475 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.95 8.76 13.91 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.39 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.93 -57.76 1.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -44.34 -55.47 4.93 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.53 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.21 -44.68 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.221 -175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.16 -36.23 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.752 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -57.54 -46.51 83.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 24.5 mmt -64.79 -38.89 92.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.093 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.599 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 11.6 m-80 -62.49 -53.12 59.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -65.5 -33.08 75.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.847 0.355 . . . . 0.0 110.784 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 20' ' ' MET . 53.0 t80 -55.13 -55.63 28.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.398 174.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.05 -31.06 70.45 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.523 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.7 mt-30 -60.98 -41.78 97.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.241 0.543 . . . . 0.0 110.149 175.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.542 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.74 -40.4 26.58 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.842 177.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.74 -38.98 93.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.494 0.188 . . . . 0.0 111.459 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 p -67.44 -12.88 61.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 m -100.31 -0.36 38.58 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.373 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 19.6 mmt -94.85 127.27 43.85 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.69 120.69 7.07 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.248 1.965 . . . . 0.0 111.585 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.19 -31.74 0.72 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.642 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -102.39 -169.14 1.63 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' HD12 ' A' ' 38' ' ' LEU . 15.3 t -148.05 169.23 20.4 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -38.85 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -63.16 -43.39 98.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.241 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HG3' HG23 ' A' ' 80' ' ' ILE . 2.3 mp0 -66.82 -42.17 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 34' ' ' THR . 7.3 mp -58.99 -44.7 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.755 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.08 -52.82 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.538 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' O ' HG12 ' A' ' 44' ' ' ILE . 18.4 m-20 -66.32 -46.48 76.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.699 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.431 ' SD ' ' HG2' ' A' ' 77' ' ' MET . 52.6 tpp -58.24 -41.41 84.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.988 0.423 . . . . 0.0 110.95 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.1 t -67.34 -38.94 85.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.196 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.4 m -69.72 -41.19 75.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.961 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 40' ' ' ASP . 48.8 mm -63.7 -31.4 52.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.454 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.06 -64.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.431 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 2.5 mp0 -51.4 -36.77 44.98 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.657 174.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.28 -40.28 93.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.591 0.234 . . . . 0.0 111.187 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 3.9 ppp? -80.72 -29.49 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' HA ' ' CG1' ' A' ' 52' ' ' ILE . 83.3 t -67.5 -26.19 35.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.724 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 79.2 mm-40 -58.39 -36.2 73.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.354 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 p -78.92 -22.55 45.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 49' ' ' VAL . 11.5 mm -68.15 -40.42 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -50.12 -48.9 53.28 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 m -73.64 -36.24 65.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.931 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.02 -48.73 79.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.65 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . . . -82.71 -6.15 59.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.584 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.97 -33.59 14.79 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -80.64 -24.09 39.25 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 43.5 28.58 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.579 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 97.3 mtt180 -118.0 11.41 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.718 0.294 . . . . 0.0 111.762 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 p -69.49 105.34 2.59 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.249 0.547 . . . . 0.0 111.499 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.57 ' OG ' ' HG3' ' A' ' 65' ' ' LYS . 37.6 p -121.86 156.12 59.64 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.041 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 47.1 Cg_exo -56.53 -33.35 92.52 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.377 2.051 . . . . 0.0 111.657 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -61.86 -47.23 85.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.189 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 32.2 mttm -65.03 -52.13 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.213 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 62' ' ' SER . 39.8 mt -65.45 -25.8 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER -53.93 -44.11 70.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.267 175.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.168 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.16 -28.98 69.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.63 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.293 0.568 . . . . 0.0 110.682 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.2 mtm -69.49 -40.87 76.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -56.33 -46.28 79.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.599 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.97 -46.27 89.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.07 79.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.057 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 13.5 p -73.21 -35.17 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.419 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 12.1 p -63.52 -39.62 94.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG2' ' SD ' ' A' ' 41' ' ' MET . 69.8 mtm -66.19 -37.89 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.184 175.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.32 89.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.599 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.5 mt-10 -58.79 -37.79 77.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.279 0.562 . . . . 0.0 110.551 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 37' ' ' GLN . 94.0 mt -80.52 -45.9 21.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.86 -14.0 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.961 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.61 -22.16 66.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.006 0.432 . . . . 0.0 111.209 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.2 t -83.21 86.36 7.05 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.941 0.877 . . . . 0.0 109.512 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' HA ' ' HZ1' ' A' ' 93' ' ' LYS . 37.7 mt-10 -69.17 -11.26 60.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.607 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.13 -52.44 43.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.662 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.27 96.9 2.22 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.134 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.14 -127.32 8.17 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.126 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.06 -166.79 14.26 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.307 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.93 159.59 22.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 0.0 111.853 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.34 -34.38 78.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -54.89 -33.84 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.217 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -76.43 -44.17 36.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.003 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HZ1' ' HA ' ' A' ' 84' ' ' GLU . 58.2 mttp -61.42 -53.95 49.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.087 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.8 t -58.59 -38.63 78.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.8 m -66.5 -34.44 77.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.123 0.487 . . . . 0.0 110.55 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.412 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 51.0 m -67.14 -40.96 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.696 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.553 HG21 ' SD ' ' A' ' 101' ' ' MET . 70.6 mt -58.3 -49.49 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.08 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.933 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -71.26 -35.37 71.37 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.54 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.578 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.553 ' SD ' HG21 ' A' ' 97' ' ' ILE . 27.2 mtp -68.22 -44.77 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.78 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -60.49 -47.6 85.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.883 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.6 t30 -61.28 -34.09 74.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.278 177.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.5 -47.43 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.525 0.202 . . . . 0.0 111.451 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.15 -37.41 77.21 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.282 0.563 . . . . 0.0 110.202 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.68 -27.34 67.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.337 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -93.79 -32.98 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.125 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -85.56 -39.36 17.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.646 -173.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.9 p -116.61 -32.3 5.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.54 -6.61 68.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.0 t -122.24 148.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.15 105.22 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.707 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -81.08 94.07 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.394 0.616 . . . . 0.0 109.555 177.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -75.36 -47.99 4.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -44.74 -48.8 10.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.781 2.321 . . . . 0.0 114.163 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HD11 ' A' ' 120' ' ' ILE . 90.8 m-85 -71.99 -26.51 62.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.871 -174.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 mt -67.68 -35.16 71.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.022 0.439 . . . . 0.0 110.398 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.18 -30.96 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.77 -52.05 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.817 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.7 mp -58.97 -49.09 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -54.32 -48.44 71.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.19 -37.09 85.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.42 -42.8 67.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.585 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 120' ' ' ILE . 89.4 t -55.59 -55.97 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.671 0.272 . . . . 0.0 110.764 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 t -57.96 -46.11 85.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.778 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.08 -52.37 49.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.545 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.424 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 25.1 m-85 -67.47 -31.0 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.585 -176.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -68.99 -52.13 32.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.738 0.304 . . . . 0.0 111.007 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.06 -34.12 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.333 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.5 -11.88 60.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 0.0 111.148 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -105.42 2.69 39.85 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 66.5 mtt -92.0 -78.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -80.14 -58.61 3.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.537 -175.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -170.97 166.64 7.47 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.586 -1.188 . . . . 0.0 107.907 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.0 p -82.64 7.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.933 0.873 . . . . 0.0 110.586 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.2 m -83.26 48.63 1.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.605 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.591 -0.719 . . . . 0.0 110.691 -178.556 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HB2' ' OD1' ' A' ' 4' ' ' ASN . 8.8 p -73.46 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.017 0.437 . . . . 0.0 110.22 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.44 22.68 72.45 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.645 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' A' ' 2' ' ' SER . 14.9 m120 -85.22 -42.0 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.97 0.414 . . . . 0.0 110.106 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -160.53 -167.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.375 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.86 178.34 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -76.45 99.36 4.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.237 0.542 . . . . 0.0 112.242 -174.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.3 m -149.02 139.91 13.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 12.3 Cg_endo -55.28 -26.08 50.36 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 122.715 2.277 . . . . 0.0 113.44 -175.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.432 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 5.8 m95 -111.29 17.11 20.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.448 -174.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' A' ' 8' ' ' THR . 4.6 t -77.22 -30.08 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.971 0.415 . . . . 0.0 111.331 -174.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -131.72 138.47 32.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.641 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 60.0 Cg_exo -53.65 -49.65 16.52 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.009 2.473 . . . . 0.0 111.705 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.07 74.29 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.658 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -71.24 -46.47 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.58 94.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 110.036 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.63 -50.51 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.766 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.444 ' HB3' HG22 ' A' ' 108' ' ' THR . 19.4 m-80 -70.18 -35.94 74.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.28 -51.94 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.62 -38.34 90.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.169 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.05 -60.65 2.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 174.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -66.5 -33.46 75.74 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.249 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 86.6 t80 -60.42 -53.7 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.752 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 24' ' ' MET . 2.2 mmt -66.83 -41.21 87.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.191 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.35 -29.99 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.335 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -84.17 -38.92 9.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.049 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.88 -35.64 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.962 0.505 . . . . 0.0 110.926 -177.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -65.97 -19.33 65.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.016 0.436 . . . . 0.0 111.621 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -99.9 3.68 44.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.384 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.1 mmt -98.12 136.92 20.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.781 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.61 141.41 31.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.359 2.039 . . . . 0.0 111.635 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.5 -28.65 3.1 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.809 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.57 -168.88 1.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.037 0.446 . . . . 0.0 111.689 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.579 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 14.7 t -152.4 175.07 13.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.133 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.02 77.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.553 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t -62.96 -40.59 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.468 . . . . 0.0 110.388 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.8 mp0 -75.22 -34.19 61.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 34' ' ' THR . 85.8 mt -66.79 -34.75 78.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 110.304 177.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.55 -39.86 94.98 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.61 -44.56 70.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.471 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 25.9 mmt -47.43 -52.63 16.38 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.266 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.512 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 56.5 m -60.97 -37.52 82.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.9 m -68.78 -42.72 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.918 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.5 mm -63.86 -40.82 90.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -52.46 -44.73 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.12 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.7 mm-40 -60.85 -41.0 94.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 t -60.77 -44.1 97.2 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.592 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -85.15 -30.4 24.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.902 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.571 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 40.8 t -65.79 -41.49 90.34 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.595 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -60.51 -32.88 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.858 0.361 . . . . 0.0 111.072 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.3 m -65.94 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.347 0.594 . . . . 0.0 109.857 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.61 -35.88 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.864 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.8 mm100 -55.83 -46.13 78.21 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.137 0.494 . . . . 0.0 109.722 174.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -68.52 -43.44 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.18 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 51' ' ' SER . 65.5 mt -51.58 -53.72 35.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.06 9.05 13.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.43 -33.88 6.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.89 -32.35 23.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.391 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.74 38.76 5.43 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -120.48 22.26 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.202 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -78.44 76.06 4.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.456 0.646 . . . . 0.0 110.359 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -101.26 147.08 33.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.349 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.53 -29.77 33.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.893 2.395 . . . . 0.0 112.438 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.28 -39.77 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.743 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.56 -49.92 60.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.48 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -64.51 -25.09 67.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.727 -174.439 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.0 tt0 -63.19 -34.05 76.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.209 0.528 . . . . 0.0 110.283 173.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -43.39 59.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.448 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.42 -36.75 71.76 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.444 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.4 t-20 -53.11 -52.64 58.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 0.0 110.855 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -68.57 -50.85 48.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.139 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.81 -41.45 91.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.768 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -59.37 -41.95 90.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.259 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.41 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.935 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 24.2 p -72.11 -33.91 68.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 p -67.77 -47.48 69.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.595 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.43 ' SD ' HD13 ' A' ' 97' ' ' ILE . 22.2 ptp -64.6 -25.88 68.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.25 -38.36 78.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 75' ' ' SER . 45.8 mt-10 -63.6 -40.57 97.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.318 0.58 . . . . 0.0 110.061 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.6 -39.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.55 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.7 -22.98 63.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.166 0.507 . . . . 0.0 110.589 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.19 -0.96 24.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.1 t -91.47 100.83 13.53 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -37.14 -53.77 1.01 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.554 -1.657 . . . . 0.0 113.319 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.72 136.46 27.35 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.015 0.822 . . . . 0.0 112.587 -171.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.6 -125.47 6.15 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.336 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.57 -5.45 86.76 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.497 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.63 -79.35 1.67 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.356 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -55.95 136.74 51.67 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.365 0.603 . . . . 0.0 112.437 -171.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.7 tp -74.71 -28.84 60.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.494 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.5 m -67.07 -34.8 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -70.76 -41.37 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.236 0.541 . . . . 0.0 109.952 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -63.17 -45.49 91.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.8 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -63.47 -41.51 98.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.911 0.386 . . . . 0.0 111.542 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -71.86 -30.43 65.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 t -60.97 -55.39 33.49 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.026 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.43 HD13 ' SD ' ' A' ' 77' ' ' MET . 86.0 mt -59.14 -44.41 91.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.781 -176.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.68 -21.3 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -81.81 -34.49 30.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.53 47.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.786 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.598 ' SD ' HG12 ' A' ' 117' ' ' ILE . 24.5 ttm -60.67 -50.32 73.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.521 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' HD13 ' A' ' 106' ' ' LEU . 5.4 p -59.57 -47.26 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.609 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -62.06 -34.61 76.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.557 0.217 . . . . 0.0 111.14 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 44.3 m-85 -59.0 -40.67 85.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.511 0.672 . . . . 0.0 110.079 173.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 102' ' ' SER . 7.5 mp -65.86 -30.29 70.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.244 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 28.5 mm-40 -78.6 -22.92 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.636 0.255 . . . . 0.0 111.18 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 18' ' ' ASN . 7.4 p -103.08 -57.92 1.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.853 -172.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -106.04 -36.32 6.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 -172.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.57 -10.68 49.85 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.599 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 3.5 t -116.39 141.44 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.92 133.71 55.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.044 0.45 . . . . 0.0 111.03 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.412 ' O ' HG13 ' A' ' 117' ' ' ILE . 22.5 t-20 -96.44 103.82 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.967 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.618 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -74.66 -47.22 5.35 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.4 Cg_endo -46.51 -49.0 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.231 2.621 . . . . 0.0 114.233 -177.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.24 -35.34 76.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.617 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.598 HG12 ' SD ' ' A' ' 101' ' ' MET . 6.3 mt -63.52 -35.59 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.977 0.418 . . . . 0.0 110.341 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.73 -46.66 88.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.003 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 60.9 mt-10 -64.11 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.779 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.6 mp -56.87 -54.16 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.456 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.0 p -58.73 -39.81 81.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -67.39 -40.46 85.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.761 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.7 mt -66.65 -39.52 88.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.363 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 120' ' ' ILE . 58.0 t -56.99 -52.09 60.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 t -57.16 -38.69 73.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.159 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.4 ttp -79.03 -53.35 7.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.575 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.99 -29.93 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -61.22 -42.59 98.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.022 0.439 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -65.11 -29.37 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -94.07 6.45 48.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.066 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.76 0.95 12.16 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.44 -0.885 . . . . 0.0 112.673 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 62.9 mtt -81.71 -65.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.482 0.182 . . . . 0.0 111.092 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -170.3 176.67 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.301 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.5 t70 61.87 24.32 14.45 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.946 0.879 . . . . 0.0 110.665 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.9 p -113.42 -7.12 11.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.225 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 m -119.05 90.2 3.28 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.702 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.607 179.832 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m 68.8 3.76 4.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.042 0.537 . . . . 0.0 111.463 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.53 27.11 0.86 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -121.08 8.66 10.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.517 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -81.39 124.65 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -122.98 97.19 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.454 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -83.93 86.56 7.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.306 0.574 . . . . 0.0 111.212 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m -121.79 137.88 27.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.67 -19.76 67.9 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.904 2.402 . . . . 0.0 113.601 -174.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.418 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 5.8 m95 -97.89 17.03 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.325 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -75.99 -54.43 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.998 0.428 . . . . 0.0 111.264 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.78 135.43 22.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.58 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.5 Cg_exo -53.41 -43.04 60.88 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.968 2.445 . . . . 0.0 112.033 176.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.83 68.94 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.514 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.61 -44.09 24.78 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.493 -0.416 . . . . 0.0 110.03 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.61 84.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.834 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 10.0 pt-20 -63.29 -40.04 96.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.481 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.75 -37.66 70.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.864 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.369 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.415 ' O ' ' HG2' ' A' ' 24' ' ' MET . 22.7 mmt -65.33 -40.31 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.471 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.555 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 14.1 m-20 -62.94 -48.44 78.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.763 0.316 . . . . 0.0 110.969 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -64.68 -33.43 75.93 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 83.9 t80 -57.22 -52.51 65.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.492 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 52.3 mmm -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.985 -177.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 90.2 mt-30 -60.28 -44.66 95.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.0 -36.73 51.28 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.04 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -73.83 -4.49 35.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 111.456 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -99.02 2.79 46.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 110.302 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mmt -104.92 114.97 63.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.848 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.79 105.96 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.295 1.997 . . . . 0.0 112.461 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.61 -34.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.805 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 73.1 m-85 -98.72 150.83 21.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.485 HG23 ' NE2' ' A' ' 37' ' ' GLN . 15.4 t -97.12 171.6 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.753 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.34 84.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -61.9 -31.42 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.259 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.485 ' NE2' HG23 ' A' ' 34' ' ' THR . 1.1 mt-30 -77.79 -42.18 34.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.511 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.72 -37.68 87.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.78 -57.99 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.53 -44.39 97.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.96 -45.98 85.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.201 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.8 t -65.13 -42.82 93.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 110.362 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.6 m -62.75 -44.14 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.4 mm -65.95 -39.48 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.56 -39.54 73.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.285 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' SER . 22.6 mm-40 -68.22 -35.78 78.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.441 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 t -62.41 -41.93 99.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 109.785 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.5 mmm -57.44 -50.22 73.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.807 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 95.3 t -58.22 -48.51 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.315 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -58.46 -36.28 73.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -73.19 -37.79 66.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 109.967 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.37 -29.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -54.37 -45.7 72.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.924 0.393 . . . . 0.0 110.507 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -81.71 -26.94 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 tp -55.91 -48.97 74.7 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.885 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.82 8.98 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.572 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.57 -34.54 9.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -91.03 -4.67 56.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.387 175.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 44.99 90.17 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.386 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -115.02 9.25 15.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -64.11 105.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.538 0.685 . . . . 0.0 110.384 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -138.46 150.78 67.53 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.248 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.11 -29.76 13.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.362 2.708 . . . . 0.0 113.215 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.91 -47.03 86.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.864 0.364 . . . . 0.0 110.975 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.3 mptt -65.13 -41.66 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 109.525 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 1.5 mp -66.53 -28.19 68.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.178 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -47.94 58.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 176.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.37 -33.95 73.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 85.2 mt -83.73 10.9 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -102.41 -54.1 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.7 mtm -63.06 -60.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.856 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.461 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -68.86 -25.4 64.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.284 -175.505 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.99 -50.92 68.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.19 89.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.427 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.507 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.7 p -70.4 -37.88 74.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.714 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.3 mtm -68.03 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' HB2' ' N ' ' A' ' 128' ' ' ALA . . . -63.02 -44.74 95.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.289 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 75' ' ' SER . 37.0 mt-10 -63.49 -29.76 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.328 0.585 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.1 -44.56 65.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.001 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -18.16 65.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.8 t -76.89 81.94 3.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.774 0.797 . . . . 0.0 110.216 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.16 -3.51 49.23 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.085 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.92 -50.49 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.449 170.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -114.9 72.85 0.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.983 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.38 -96.74 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.908 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.16 30.81 13.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.741 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -158.67 52.51 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HG ' ' HE3' ' A' ' 132' ' ' MET . 1.8 tm? -55.69 -34.3 64.94 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.691 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -54.91 -38.79 68.07 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.228 0.537 . . . . 0.0 110.756 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -77.43 -40.79 42.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 55.3 mtpt -65.44 -49.07 70.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.302 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.411 HG21 ' O ' ' A' ' 90' ' ' LEU . 11.0 t -63.24 -30.33 71.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.417 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -82.1 -22.35 36.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 110.677 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 10.8 t -64.48 -49.6 70.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.87 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.47 HG21 ' SD ' ' A' ' 101' ' ' MET . 73.6 mt -53.41 -48.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.316 -177.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.03 88.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.8 m -71.58 -39.36 70.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.348 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.47 ' SD ' HG21 ' A' ' 97' ' ' ILE . 15.5 mtp -63.12 -46.92 85.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.979 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -56.92 -50.13 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.303 0.573 . . . . 0.0 110.027 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.2 t30 -62.57 -42.16 99.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.425 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.34 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.697 0.284 . . . . 0.0 111.727 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 4.8 t80 -65.38 -34.83 79.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.584 0.707 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.89 -36.27 83.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.919 176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -85.9 -6.24 59.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.724 -174.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 p -106.61 -52.38 2.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.017 0.437 . . . . 0.0 110.969 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.2 p -98.56 -32.21 11.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.456 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -5.67 69.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 15.7 t -117.14 157.06 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.0 127.86 71.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.971 0.415 . . . . 0.0 110.41 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -102.18 93.65 5.33 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.553 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.1 tp60 -70.95 -49.91 12.7 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.779 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 3.2 Cg_exo -41.16 -50.41 4.33 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.482 2.788 . . . . 0.0 113.4 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -68.44 -36.27 78.79 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.181 0.515 . . . . 0.0 109.991 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.8 mt -68.0 -42.24 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.587 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.1 m-20 -61.5 -33.71 74.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.09 -44.4 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.611 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.627 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.6 mp -61.55 -45.76 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.9 p -59.01 -36.35 74.79 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 15.0 mm100 -59.48 -42.51 92.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.218 0.532 . . . . 0.0 110.462 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.39 -40.1 51.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.814 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 120' ' ' ILE . 67.3 t -56.76 -62.49 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.152 0.501 . . . . 0.0 110.892 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 -20.7 62.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.116 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.2 ttp -88.32 -53.31 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.453 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 22.2 m-85 -73.96 -20.64 60.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.675 -175.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.441 ' N ' ' HB2' ' A' ' 78' ' ' ALA . . . -65.5 -44.45 86.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.408 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.01 -56.11 7.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.09 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 57.67 5.71 0.36 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.548 ' O ' ' HB ' ' A' ' 135' ' ' VAL . . . 105.57 45.6 1.3 Allowed Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.212 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.424 ' HE3' ' HG ' ' A' ' 90' ' ' LEU . 45.0 mtt -52.18 -42.68 63.66 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 122.865 0.466 . . . . 0.0 111.717 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.12 109.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.9 t0 61.31 63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.932 0.872 . . . . 0.0 111.313 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 131' ' ' GLY . 9.9 p -124.8 -0.91 5.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.103 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m -86.22 83.98 7.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.618 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.779 178.601 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -151.85 145.4 24.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.38 61.04 2.16 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.768 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.81 -38.89 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.051 0.453 . . . . 0.0 110.37 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -93.97 168.5 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.015 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -65.59 133.1 50.45 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -68.64 109.91 4.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.513 -172.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.417 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -121.01 138.19 27.53 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.5 Cg_endo -64.13 -20.0 66.78 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.817 2.345 . . . . 0.0 113.428 -177.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -91.63 7.24 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -70.89 -62.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.457 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.467 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.8 t30 -103.29 130.73 23.05 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 121.407 0.622 . . . . 0.0 109.88 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 13.8 Cg_endo -60.33 -31.57 92.98 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.234 2.622 . . . . 0.0 111.065 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.38 -33.28 77.04 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.727 175.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.52 -49.84 44.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.98 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -58.84 -53.17 61.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.676 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.99 -31.44 72.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.71 -52.29 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.95 -35.08 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 15.0 m-80 -63.63 -52.26 61.61 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.616 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -64.77 -33.03 75.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.009 0.433 . . . . 0.0 110.579 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.6 -48.76 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.681 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.6 mmt -76.25 -11.99 60.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.237 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 98.4 mt-30 -75.76 -31.22 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.143 0.497 . . . . 0.0 109.928 174.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.74 -39.8 5.15 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.276 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -58.61 -37.94 76.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.713 0.292 . . . . 0.0 110.931 -176.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -70.49 -11.32 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.311 . . . . 0.0 111.754 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m -100.19 -0.58 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.008 0.433 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -96.55 118.78 64.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.34 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.97 123.78 10.71 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.243 1.962 . . . . 0.0 111.606 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.78 -30.13 0.92 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -111.05 141.94 43.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.724 0.297 . . . . 0.0 110.678 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 t -89.3 164.49 14.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.48 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -65.55 -57.61 7.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.504 0.193 . . . . 0.0 110.594 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.02 -35.78 75.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.732 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 27' ' ' LEU . 11.5 tp -58.51 -49.36 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.162 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -62.51 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.476 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.6 m-20 -64.81 -43.84 91.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.518 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.0 ttm -61.37 -41.34 96.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.194 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 38.0 t -62.35 -40.67 97.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.067 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -65.44 -43.56 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.005 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.8 mm -66.46 -36.21 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.313 0.578 . . . . 0.0 110.033 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -58.55 -40.33 82.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.125 174.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.0 mm-40 -67.08 -34.11 76.94 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.006 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -61.71 -44.44 96.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.873 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.0 mmm -61.14 -47.79 84.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.7 t -57.09 -52.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.004 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.55 -33.85 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 21.2 t -67.0 -37.06 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.9 mt -77.34 -30.45 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.431 . . . . 0.0 110.438 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -85.5 -32.24 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.668 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.483 HD12 ' HZ1' ' A' ' 65' ' ' LYS . 13.4 tp -59.42 -51.15 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.082 -177.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.96 0.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.774 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.08 -33.23 8.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -82.41 -25.72 33.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 14.65 63.54 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -84.62 81.44 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 0.0 111.574 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -132.58 156.44 46.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.983 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.506 ' O ' HD22 ' A' ' 66' ' ' LEU . 31.1 t -172.95 144.11 1.17 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.68 -43.28 46.73 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.861 2.374 . . . . 0.0 112.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -74.11 -35.59 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.155 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 0.1 OUTLIER -74.23 -32.3 62.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.733 -177.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 62' ' ' SER . 4.6 mm? -69.65 -34.91 74.67 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.9 tt0 -65.61 -38.9 90.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.912 173.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.82 94.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.2 -32.05 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.397 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.543 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 16.3 t-20 -59.57 -57.07 14.53 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.007 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.6 mtm -64.35 -42.19 96.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.062 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -61.66 -44.05 97.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.31 -48.03 83.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.577 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.84 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.696 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 11.3 p -66.14 -35.62 80.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.888 -176.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.627 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 66.8 mtm -70.41 -34.68 72.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.25 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.78 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.218 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 75' ' ' SER . 51.2 mt-10 -62.74 -39.95 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.443 0.64 . . . . 0.0 110.696 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.45 -40.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.531 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.17 -20.23 64.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.876 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.27 -11.66 60.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -87.63 81.82 7.59 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.709 0.766 . . . . 0.0 109.69 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HB3' ' HA2' ' A' ' 88' ' ' GLY . 34.8 mt-10 -76.04 -2.83 32.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.827 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -49.97 -43.86 50.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.423 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.25 2.22 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.173 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.85 -59.09 2.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.371 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 84' ' ' GLU . . . 103.47 174.32 26.05 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t 72.21 112.57 0.06 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.62 -29.36 24.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.741 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 t -60.8 -31.99 71.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.139 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.4 m -82.62 -27.89 31.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 0.0 111.063 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -71.92 -35.25 69.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.48 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.5 p -62.02 -48.59 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.228 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -69.46 -27.01 64.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.886 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 t -61.71 -53.63 53.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -42.48 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.4 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.56 92.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 p -69.96 -44.12 70.14 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.285 0.564 . . . . 0.0 110.29 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.71 90.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.908 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.682 ' SD ' HG12 ' A' ' 117' ' ' ILE . 20.4 ttm -63.51 -45.26 91.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 39.5 t -58.54 -39.63 80.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.037 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.594 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.8 t30 -68.14 -38.04 81.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.861 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.87 68.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.917 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.469 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 3.3 t80 -66.54 -28.74 68.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 0.0 109.484 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 102' ' ' SER . 11.5 tp -62.01 -25.49 67.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.792 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 57.8 mm-40 -94.34 -16.83 23.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 p -97.6 -34.73 10.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.7 p -121.24 -38.21 2.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.127 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.56 -11.08 39.02 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.469 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 20.1 t -121.05 158.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.413 HG22 ' HG ' ' A' ' 102' ' ' SER . 41.4 t -108.36 132.32 56.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.659 0.266 . . . . 0.0 110.883 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.05 104.07 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 109.853 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.53 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.3 tp60 -67.54 -54.97 15.85 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.568 -176.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -52.92 -40.79 74.63 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.865 2.377 . . . . 0.0 114.668 -170.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.2 -37.59 72.11 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.507 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.682 HG12 ' SD ' ' A' ' 101' ' ' MET . 4.8 mt -63.9 -37.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.422 . . . . 0.0 109.92 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.572 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 5.9 m-20 -55.02 -50.07 69.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.614 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 41.8 mt-10 -68.36 -52.17 36.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.615 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.551 ' O ' HG21 ' A' ' 124' ' ' VAL . 1.7 mp -54.68 -48.77 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.8 p -58.7 -43.71 90.12 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.4 mm-40 -63.81 -38.36 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 110.387 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 55.1 mt -74.63 -31.68 62.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.821 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 120' ' ' ILE . 89.7 t -62.52 -50.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.437 . . . . 0.0 110.005 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -63.89 -22.49 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.541 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.1 ttm -88.22 -64.74 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.607 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.67 -16.82 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.792 -170.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.09 76.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.276 0.56 . . . . 0.0 110.484 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -78.08 2.65 17.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -104.34 -0.69 27.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.139 0.495 . . . . 0.0 110.276 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.521 ' HA2' ' OG ' ' A' ' 136' ' ' SER . . . -117.29 -12.67 8.05 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 67.0 mtt -73.19 -28.48 62.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.301 0.572 . . . . 0.0 110.677 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -107.92 157.05 18.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.937 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -74.17 86.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.861 0.839 . . . . 0.0 110.676 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.25 12.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.521 ' OG ' ' HA2' ' A' ' 131' ' ' GLY . 3.7 m -94.55 29.47 2.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.596 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.725 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -103.01 169.62 8.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.55 88.46 0.62 Allowed Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -81.49 -71.94 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -135.31 138.86 43.84 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.521 -173.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -67.14 111.37 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 171.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -57.56 130.76 47.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.805 0.812 . . . . 0.0 112.387 -170.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.7 m -106.51 143.9 27.93 Favored Pre-proline 0 N--CA 1.444 -0.734 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.12 174.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.5 Cg_endo -56.54 -16.08 17.62 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.769 2.313 . . . . 0.0 113.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.423 ' CZ3' ' HE2' ' A' ' 20' ' ' MET . 5.4 m95 -95.39 12.79 27.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.192 -175.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -71.34 -72.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.95 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 133.4 26.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.418 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.81 -46.48 31.86 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.988 2.459 . . . . 0.0 112.47 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.89 94.71 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.15 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.56 -61.02 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.99 68.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.355 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.37 -45.5 87.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.729 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.05 -31.6 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.523 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.02 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.013 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.492 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.3 OUTLIER -59.81 -37.94 80.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.423 176.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.2 m-20 -60.04 -53.2 60.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.164 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -69.04 -26.64 65.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.211 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 64.5 t80 -59.54 -56.21 24.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.535 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 64.0 mmm -64.03 -33.16 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.863 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.1 mt-30 -58.42 -40.34 82.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.398 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.08 -32.05 13.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -64.97 -36.43 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.405 ' HA ' HD21 ' A' ' 38' ' ' LEU . 13.7 p -67.78 -11.53 58.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 0.0 111.423 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 m -97.31 -4.59 38.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.662 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.52 ' HE3' ' N ' ' A' ' 100' ' ' ALA . 53.9 mtt -94.98 129.79 34.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-O 121.074 0.464 . . . . 0.0 111.466 -174.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.96 126.2 9.19 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.644 2.229 . . . . 0.0 111.888 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.48 -57.83 0.41 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.633 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 98.7 m-85 -87.71 148.11 24.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 37' ' ' GLN . 7.8 t -94.67 168.5 10.8 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.79 65.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.256 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -60.81 -41.68 96.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 83' ' ' SER . 7.0 mm100 -69.64 -34.93 74.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.407 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 28' ' ' SER . 9.8 mp -63.2 -41.28 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.5 -45.76 89.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.978 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.1 m-20 -67.16 -44.55 79.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -63.61 -41.26 98.32 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.1 t -61.08 -41.84 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 m -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.95 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.6 mm -66.22 -38.61 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.051 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -57.76 -38.29 75.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.421 176.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 42' ' ' SER . 28.6 mm-40 -63.42 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.443 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 t -65.68 -40.97 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.085 0.469 . . . . 0.0 109.736 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.1 mmm -59.85 -49.4 77.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.471 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.44 -47.68 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.958 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -63.8 -31.49 72.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.608 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -66.89 -46.13 75.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 109.801 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.04 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.656 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.4 mm-40 -53.88 -45.96 71.21 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 110.058 174.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -65.91 -47.74 73.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.8 mt -57.66 -38.03 74.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.4 60.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.705 0.288 . . . . 0.0 111.645 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.7 -31.85 19.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -80.26 -15.32 57.22 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.811 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.35 45.24 48.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.973 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -124.85 14.69 8.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.77 0.319 . . . . 0.0 111.337 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.9 121.45 22.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.008 0.433 . . . . 0.0 110.758 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.5 t -153.05 152.76 28.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.757 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD2' ' OG ' ' A' ' 62' ' ' SER . 10.6 Cg_endo -54.61 -41.6 75.96 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.701 2.268 . . . . 0.0 112.479 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -78.14 -6.02 53.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.22 0.533 . . . . 0.0 110.837 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 62' ' ' SER . 2.6 tpmt? -89.99 -49.68 6.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.301 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 62' ' ' SER . 55.6 mt -68.1 -27.63 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.75 -174.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -56.77 -33.36 66.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.889 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.49 -39.15 74.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.678 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.09 -30.78 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -56.94 -55.88 28.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.045 0.45 . . . . 0.0 110.153 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.49 -44.0 97.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.288 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.23 -46.5 88.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.101 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -57.95 -48.33 80.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.03 71.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.779 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -71.03 -27.77 63.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.1 m -68.06 -41.61 81.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 0.0 110.425 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -73.4 -26.98 61.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.104 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.445 ' HB3' ' N ' ' A' ' 128' ' ' ALA . . . -60.02 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.389 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.27 -26.38 67.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.301 0.572 . . . . 0.0 110.533 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.98 -42.04 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.86 -19.98 65.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.592 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB1' ' N ' ' A' ' 132' ' ' MET . . . -62.92 -22.91 67.09 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.912 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.455 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 15.6 t -84.98 88.02 7.41 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.803 0.811 . . . . 0.0 109.28 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.55 -20.31 63.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.646 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.46 104.67 3.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.566 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.26 2.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.364 -0.922 . . . . 0.0 113.338 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.31 -109.9 0.51 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.785 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.35 164.87 51.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.689 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p -81.34 -176.63 6.1 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 94' ' ' THR . 64.4 tp -54.58 -40.7 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.532 175.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -52.53 -39.85 61.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.733 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -80.02 -38.84 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.253 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 36.9 mtmm -82.2 -39.84 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -170.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 90' ' ' LEU . 13.4 t -65.5 -32.05 73.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.966 -0.459 . . . . 0.0 111.544 -174.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 m -78.5 -27.94 46.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 110.816 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.4 t -58.89 -45.75 89.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.305 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.599 HG21 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -57.03 -46.07 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -63.5 -35.13 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.474 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.9 t -68.47 -39.98 81.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.52 ' N ' ' HE3' ' A' ' 30' ' ' MET . . . -68.61 -36.96 79.37 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.736 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.599 ' SD ' HG21 ' A' ' 97' ' ' ILE . 30.5 mtp -66.22 -47.14 74.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.512 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -59.41 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.144 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.628 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.1 t30 -56.8 -39.39 74.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.359 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.07 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.566 0.222 . . . . 0.0 111.081 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 26.4 m-85 -60.21 -38.34 83.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.01 -28.03 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.944 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.4 mm-40 -90.81 -31.6 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.322 . . . . 0.0 111.026 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 p -89.88 -39.1 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -173.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.4 p -120.66 -37.09 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.67 -3.84 61.24 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.539 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.2 t -120.46 147.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.76 111.6 24.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 0.0 110.271 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.451 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.0 t-20 -80.87 75.46 7.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.557 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.8 tp60 -58.5 -49.18 94.91 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.865 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.1 Cg_endo -50.95 -42.89 50.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.519 2.146 . . . . 0.0 113.17 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.423 ' O ' HD11 ' A' ' 120' ' ' ILE . 66.8 m-85 -89.08 8.99 27.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.714 -177.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' ASN . 15.8 mt -103.36 -40.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 0.0 110.107 173.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 93.3 m-20 -56.51 -43.24 79.55 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.984 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' O ' HD13 ' A' ' 123' ' ' LEU . 31.2 mt-10 -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.35 -174.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.8 mp -61.52 -52.67 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.703 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -59.76 -43.17 94.43 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.8 mm-40 -61.6 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.513 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -75.02 -38.84 61.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.644 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' ILE . 72.4 t -57.24 -56.49 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.671 0.272 . . . . 0.0 110.351 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -59.71 -36.26 76.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.876 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -73.38 -53.68 10.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.421 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.34 -26.03 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 132' ' ' MET . . . -63.57 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.24 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.481 ' HA ' ' HG2' ' A' ' 132' ' ' MET . 78.0 mt-30 -67.92 -17.09 64.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.199 -176.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.28 -0.09 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.273 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.1 -24.4 3.58 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.23 -0.986 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.481 ' HG2' ' HA ' ' A' ' 129' ' ' GLN . 19.6 ptp -83.64 -28.03 28.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.085 -0.558 . . . . 0.0 110.41 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -145.03 163.45 34.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.403 175.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.81 96.12 8.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.567 0.698 . . . . 0.0 110.9 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.58 27.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.585 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -84.19 11.21 8.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.792 -173.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.291 178.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -61.87 147.18 47.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.939 0.399 . . . . 0.0 111.11 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.09 -75.18 0.18 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -177.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -150.95 -9.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 0.0 110.726 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -68.11 112.49 5.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.901 0.381 . . . . 0.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -124.57 121.6 35.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -74.34 104.06 4.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.252 0.549 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.4 m -132.9 138.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.427 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 34.2 Cg_endo -65.73 -11.07 29.05 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.018 2.479 . . . . 0.0 113.961 -175.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -105.38 12.99 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.427 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -72.82 -46.77 51.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.005 0.431 . . . . 0.0 111.583 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -126.46 139.71 35.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.605 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.61 -41.61 67.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.975 2.45 . . . . 0.0 112.468 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.16 92.14 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.082 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 52.2 tp -62.52 -40.63 97.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.01 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.943 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 18' ' ' ASN . 1.5 pt-20 -66.34 -38.49 87.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.125 -177.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.506 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 40.2 m-80 -71.28 -32.79 69.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.737 0.303 . . . . 0.0 110.701 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.06 -50.98 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.18 -40.16 96.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.82 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -53.3 -60.68 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 176.296 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -67.03 -27.01 67.05 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.088 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.7 t80 -58.65 -48.42 81.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.118 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.477 ' HA ' ' CE ' ' A' ' 24' ' ' MET . 0.7 OUTLIER -68.0 -37.5 81.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.902 -179.339 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 13.9 mm100 -56.61 -37.26 70.43 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.537 0.523 . . . . 0.0 110.987 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -31.38 12.44 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.297 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.87 -32.57 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.269 . . . . 0.0 110.738 -177.232 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -71.25 -15.53 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -92.53 -3.47 55.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.063 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -91.24 128.13 48.47 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.65 -0.95 11.0 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 122.86 2.374 . . . . 0.0 112.116 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.14 -26.2 66.94 Favored Glycine 0 C--N 1.312 -0.761 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.909 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -130.49 153.7 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 0.0 111.041 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 11.7 t -100.18 172.68 7.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.918 178.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.68 79.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 t -63.63 -35.78 81.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.607 . . . . 0.0 110.305 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 41' ' ' MET . 63.4 mt-30 -77.21 -29.25 54.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.362 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 34' ' ' THR . 82.2 mt -64.82 -42.78 94.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.197 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.8 -36.6 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.814 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -69.09 -46.06 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 26.1 mmt -50.36 -50.7 50.54 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.987 174.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.2 m -60.11 -39.07 84.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.9 m -66.75 -40.13 88.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.764 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.9 mm -65.58 -41.79 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 0.0 109.766 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -55.26 -41.32 72.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.546 176.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 42' ' ' SER . 23.5 mm-40 -62.79 -36.2 82.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -61.32 -38.89 88.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 52' ' ' ILE . 59.9 mtp -75.94 -48.72 20.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.571 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 98.1 t -56.67 -47.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.526 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.45 -37.36 83.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.8 m -72.86 -36.83 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.997 -177.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 48' ' ' MET . 89.0 mt -69.36 -29.26 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.778 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.5 mm-40 -57.58 -45.23 85.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.271 0.558 . . . . 0.0 109.714 174.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -68.52 -38.84 81.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.37 -35.62 77.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.688 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.96 -18.02 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.87 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.61 -39.62 8.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.214 0.53 . . . . 0.0 109.648 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.29 -29.01 61.45 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.93 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.21 40.21 34.73 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.302 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -124.55 21.45 8.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.731 -0.234 . . . . 0.0 111.123 -175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 1.2 m -53.18 -57.3 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.571 0.544 . . . . 0.0 110.5 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.553 ' O ' HD22 ' A' ' 66' ' ' LEU . 96.9 p 50.4 165.28 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 124.454 1.101 . . . . 0.0 113.253 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.43 -11.9 22.69 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.679 1.586 . . . . 0.0 110.677 170.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -70.78 -51.33 27.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 61' ' ' THR . 14.1 mptt -61.86 -44.16 97.38 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 109.855 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.553 HD22 ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -61.57 -30.01 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.047 -178.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.11 -48.88 49.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.212 173.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.0 79.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.161 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.5 mt -76.38 -2.94 34.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.65 -44.24 13.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mtm -79.85 -55.2 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.576 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.21 -34.97 75.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.871 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -58.87 -53.21 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.958 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.97 82.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.694 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 p -69.28 -26.12 64.59 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -65.06 -45.47 85.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.575 0.226 . . . . 0.0 110.827 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -70.74 -31.03 67.72 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.231 175.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.69 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.88 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.03 -50.05 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.05 -46.09 94.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.82 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' HB2' ' HD3' ' A' ' 93' ' ' LYS . . . -67.98 -37.34 81.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.396 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 -2.77 46.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.01 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -72.88 -20.72 61.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 56.25 91.38 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.148 -175.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -158.1 151.65 23.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.99 -70.14 2.97 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.991 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.26 168.53 23.27 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.16 126.23 0.49 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.567 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -78.92 -176.98 5.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.897 0.379 . . . . 0.0 110.429 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.41 -30.5 71.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.353 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -62.52 -30.95 71.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.77 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -82.68 -44.63 15.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.249 0.547 . . . . 0.0 110.257 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.405 ' HD3' ' HB2' ' A' ' 81' ' ' ALA . 44.5 mttp -64.06 -41.21 97.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.552 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 p -59.83 -50.97 71.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.641 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -63.72 -33.91 76.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.0 m -59.44 -47.13 86.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.564 HG22 ' SD ' ' A' ' 101' ' ' MET . 56.6 mt -63.63 -51.64 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.31 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.948 -176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 t -66.12 -40.84 91.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.61 -35.75 73.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.602 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.564 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.1 mtp -65.25 -46.88 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.199 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 36.4 t -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.986 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 20.0 t30 -62.31 -40.23 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.4 77.11 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 2.5 t80 -66.3 -30.33 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.613 0.72 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 102' ' ' SER . 10.1 tp -63.78 -29.38 70.59 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.201 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 59.5 mm-40 -91.59 -17.97 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.502 ' HB ' ' CD1' ' A' ' 15' ' ' LEU . 4.2 p -94.13 -61.54 1.51 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.937 -173.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 t -108.56 -4.69 16.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.964 0.412 . . . . 0.0 110.912 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.06 2.97 90.71 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.381 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.69 153.7 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.7 t -101.29 110.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.489 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.502 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.3 t-20 -85.19 80.88 9.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.43 0.634 . . . . 0.0 109.476 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.607 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -65.82 -44.53 63.25 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.783 -177.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -47.34 -49.56 12.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.724 2.283 . . . . 0.0 113.224 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.77 -32.18 71.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 113' ' ' ASN . 33.1 mt -64.53 -36.89 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -67.89 -29.45 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 123' ' ' LEU . 38.5 mt-10 -70.27 -53.2 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.264 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 124' ' ' VAL . 1.7 mp -58.39 -50.39 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.523 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.5 p -55.91 -47.39 77.56 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -64.67 -41.02 96.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -68.6 -38.06 80.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.274 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 120' ' ' ILE . 76.6 t -55.45 -53.46 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.029 0.443 . . . . 0.0 110.02 176.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 t -62.98 -48.28 79.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.818 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.544 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -72.21 -26.53 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -68.33 -53.49 23.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -62.96 -32.02 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.282 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.65 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.212 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -102.25 -28.07 6.61 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 66.6 mtt -65.44 -39.69 92.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.22 136.11 54.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.397 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.34 83.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 110.295 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.9 p -114.78 4.51 7.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.181 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.4 m 57.27 31.83 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.422 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 -178.192 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 120.831 0.348 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.09 -8.97 24.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.318 2.012 . . . . 0.0 111.847 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.533 ' HB2' HD22 ' A' ' 66' ' ' LEU . 5.4 m95 -94.48 3.11 55.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.637 -176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -70.9 -26.07 63.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.908 0.385 . . . . 0.0 111.014 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.509 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 14.4 t30 -130.95 130.32 22.79 Favored Pre-proline 0 CA--C 1.512 -0.482 0 CA-C-O 121.261 0.553 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 18.5 Cg_endo -61.7 -37.04 71.38 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 123.389 2.726 . . . . 0.0 111.042 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.78 -38.4 95.88 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.579 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 37.4 tp -73.19 -45.91 53.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.447 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.76 89.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.703 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.74 -44.93 96.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' HB3' HG22 ' A' ' 108' ' ' THR . 35.8 m-80 -69.69 -32.1 70.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.85 -52.16 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.472 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.8 OUTLIER -62.17 -35.52 79.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.215 177.677 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.8 m-80 -60.49 -52.45 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.798 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -69.92 -32.55 70.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.388 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.7 t80 -55.76 -55.43 32.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.208 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.565 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 48.0 mmm -65.19 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.631 -175.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.2 mt-30 -61.91 -37.05 83.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.89 -36.19 9.37 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.09 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 23' ' ' PHE . 11.5 tp -67.64 -31.19 71.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 p -61.44 -25.88 67.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 111.248 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -101.13 6.69 43.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.563 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 20.8 mmt -83.79 138.27 40.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.66 149.25 33.83 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.787 2.324 . . . . 0.0 111.849 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.09 -32.26 5.87 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.718 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -105.85 -169.47 1.59 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.786 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.4 t -152.23 171.75 17.47 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.43 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.176 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -61.5 -46.26 90.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.16 -46.45 87.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 110.043 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.3 mt -61.31 -42.09 98.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.218 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.52 -47.28 86.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.96 -39.51 89.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.2 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.164 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.1 m -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.912 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.4 mm -66.25 -36.26 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.191 0.52 . . . . 0.0 110.112 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.76 -34.47 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.597 175.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.09 -39.36 89.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.104 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -65.0 -35.27 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 109.747 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.8 mmm -59.86 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.287 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.5 t -62.86 -46.57 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.008 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.35 -37.17 64.61 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -65.64 -42.1 91.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.029 0.442 . . . . 0.0 109.993 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.63 -40.0 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.769 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 13.1 mm100 -56.7 -36.55 69.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.118 0.485 . . . . 0.0 109.962 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -75.07 -44.73 45.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.68 -43.85 85.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.737 0.303 . . . . 0.0 111.185 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.08 -20.15 59.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.821 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.95 -29.93 15.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.64 -177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -89.32 -7.46 55.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.621 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.14 43.81 88.88 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.263 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -128.45 22.76 5.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.647 0.26 . . . . 0.0 111.444 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 m -77.75 68.78 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.349 0.595 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -90.92 155.55 45.03 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.944 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -52.45 -40.53 71.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.863 2.375 . . . . 0.0 113.007 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -67.74 -24.56 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' O ' HD23 ' A' ' 69' ' ' LEU . 12.4 mptt -71.23 -50.69 30.29 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 10' ' ' TRP . 59.9 mt -61.31 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.379 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -57.96 -39.01 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.524 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.51 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 65' ' ' LYS . 4.1 mm? -56.05 -35.68 67.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.904 177.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.97 -52.18 61.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 0.0 110.939 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -71.63 -47.25 55.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.779 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -65.68 -39.83 91.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.202 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -58.03 -47.7 82.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.991 0.425 . . . . 0.0 110.705 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.4 87.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.547 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 12.0 p -70.77 -33.55 70.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -175.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.9 m -58.79 -42.11 88.26 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.125 0.488 . . . . 0.0 110.734 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.6 mtm -73.56 -31.88 63.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.223 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.51 89.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.561 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' SER . 46.9 mt-10 -55.46 -40.37 71.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.372 0.606 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 92.4 mt -71.99 -51.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.127 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.04 -32.29 69.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.321 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.092 -176.498 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.237 0.441 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.52 -29.65 69.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.059 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -56.93 -46.9 81.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.117 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.7 m -70.16 -37.89 75.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.46 -54.13 49.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.354 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.1 p -62.75 -38.75 91.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.9 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -66.24 -32.49 73.94 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 58.8 m -70.35 -41.73 72.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.612 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.579 HG22 ' SD ' ' A' ' 101' ' ' MET . 67.7 mt -57.7 -49.37 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 0.0 110.636 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.41 73.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.074 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -69.5 -40.53 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.86 -37.41 73.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.579 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.9 mtp -62.25 -49.05 77.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.819 0.342 . . . . 0.0 111.344 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 p -67.55 -38.32 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.565 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.6 t30 -68.89 -40.77 79.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.064 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.42 93.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.865 0.364 . . . . 0.0 111.295 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.445 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 3.3 t80 -66.87 -32.96 74.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.538 0.685 . . . . 0.0 109.245 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 106' ' ' LEU . 10.5 tp -60.9 -30.03 69.93 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.791 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.6 mm-40 -92.75 -27.92 16.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 111.124 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.2 p -81.11 -46.12 15.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -120.89 -23.32 5.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 103.5 -10.74 53.84 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.337 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.05 155.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.14 125.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.645 0.26 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -86.15 113.72 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.6 tp60 -82.32 -56.59 0.52 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.1 Cg_endo -53.98 -42.67 64.83 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.68 2.253 . . . . 0.0 113.468 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.43 -32.47 72.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.13 0.49 . . . . 0.0 110.165 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.38 -37.41 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 90.8 m-20 -62.61 -40.3 96.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 47.4 mt-10 -66.83 -57.61 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -51.65 -49.97 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.9 p -57.46 -40.47 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -73.03 -36.56 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.617 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.01 -42.25 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.947 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.0 t -53.01 -58.23 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.808 0.813 . . . . 0.0 109.621 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.6 m -59.85 -31.62 69.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.8 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.4 ttp -78.17 -51.91 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -68.1 -27.42 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.68 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.23 96.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 111.411 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 -178.399 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.6 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 74.5 Cg_endo -77.75 -9.75 17.02 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.405 2.07 . . . . 0.0 112.608 178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 -5.28 25.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.59 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.73 -9.38 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -138.26 135.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.168 0.509 . . . . 0.0 109.936 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.65 -38.67 30.65 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 C-N-CA 123.018 2.479 . . . . 0.0 111.503 -176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.78 -35.01 89.06 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.933 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 tp -70.18 -40.43 74.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.79 75.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.663 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.79 -34.68 75.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.291 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -72.87 -36.06 67.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.99 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.77 -48.45 80.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.114 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.5 mmt -64.11 -36.19 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -61.97 -53.2 59.0 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.579 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 t -66.69 -34.16 77.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.154 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.91 -49.87 75.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.749 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.0 mmt -64.19 -37.99 89.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.784 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.61 -36.76 85.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.298 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.56 -36.39 33.79 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.871 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.5 -29.49 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 111.434 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -70.43 -12.3 61.49 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 110.646 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -93.47 1.74 56.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.149 0.499 . . . . 0.0 109.855 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.5 mmt -102.1 114.9 65.32 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.319 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.83 -1.96 8.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.096 2.531 . . . . 0.0 112.768 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.44 -27.95 73.5 Favored Glycine 0 C--N 1.313 -0.713 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.896 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -118.32 164.2 15.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 110.919 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.506 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -113.3 169.98 8.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.165 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.852 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 m -65.41 -43.04 91.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.16 -35.07 79.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.07 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.5 mt -64.14 -45.29 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.511 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.25 -47.39 84.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.8 m-20 -66.1 -39.32 89.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 ttm -65.17 -40.21 94.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 33.0 t -61.53 -37.09 82.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -67.45 -41.37 84.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.797 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 40' ' ' ASP . 42.9 mm -66.62 -37.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 0.0 109.83 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.67 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 42' ' ' SER . 31.1 mm-40 -63.92 -44.06 94.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.388 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -59.41 -34.37 72.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.6 tpp -69.33 -58.56 3.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.33 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.3 t -58.52 -47.31 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.04 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.82 -33.5 75.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.488 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 m -72.94 -39.73 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.03 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.809 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.8 mm-40 -53.11 -39.78 63.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -85.33 -41.78 15.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.979 0.419 . . . . 0.0 110.765 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.71 -45.49 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.78 -20.47 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.36 -34.01 13.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.993 0.425 . . . . 0.0 110.094 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.25 0.33 49.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.217 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.91 34.96 78.16 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.819 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.71 6.51 21.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 t -80.97 141.6 34.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.217 0.532 . . . . 0.0 110.796 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' HD22 ' A' ' 66' ' ' LEU . 32.2 m -156.84 154.06 25.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.21 -35.39 33.89 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.367 2.711 . . . . 0.0 113.476 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -64.16 -38.65 91.83 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.358 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -45.71 79.71 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.11 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.664 -178.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.138 0.494 . . . . 0.0 110.458 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.02 72.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.61 -34.1 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.72 -47.33 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.743 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -71.27 -47.6 55.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.094 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.78 -40.0 86.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.4 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -55.92 -47.65 77.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.646 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.47 71.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.636 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 54.1 p -65.22 -38.24 89.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.698 -175.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.4 ' HB3' HG21 ' A' ' 44' ' ' ILE . 37.7 m -65.58 -38.2 88.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 111.273 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.87 -35.54 74.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 109.933 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.54 -42.6 96.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.976 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 75' ' ' SER . 44.7 mt-10 -56.54 -45.92 80.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.7 -49.27 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.873 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.6 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.899 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.117 -175.168 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.236 0.381 0 CA-C-O 120.914 0.388 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tt -91.66 -27.35 18.16 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -64.46 -35.72 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.467 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.7 m -67.47 -28.88 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.373 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -66.32 -49.33 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.654 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -59.02 -41.86 88.76 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 m -65.46 -40.57 93.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.926 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.2 m -62.12 -48.81 78.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.526 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -50.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.788 0.328 . . . . 0.0 110.552 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.3 97.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.527 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.3 m -68.72 -34.29 75.38 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.53 55.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.107 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.4 ' HE3' HG12 ' A' ' 117' ' ' ILE . 38.4 mtm -64.89 -42.24 94.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.615 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.4 p -63.6 -41.9 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.193 0.521 . . . . 0.0 110.282 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 12.4 t30 -65.78 -40.92 92.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.872 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.03 90.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HD1' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -58.16 -42.09 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.737 0.78 . . . . 0.0 109.224 174.714 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 106' ' ' LEU . 7.2 tp -59.53 -33.59 71.58 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.147 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 55.6 mm-40 -87.26 -32.83 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 111.23 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.3 p -77.27 -61.03 2.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 111.592 -174.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -104.61 -16.81 14.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.745 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.16 -16.14 61.65 Favored Glycine 0 N--CA 1.455 -0.094 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.321 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.43 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 17.4 t -119.79 154.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.79 129.7 73.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.405 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 51.8 t-20 -92.72 96.85 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -68.39 -48.95 33.78 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.262 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.7 Cg_exo -52.24 -36.07 66.05 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.167 1.911 . . . . 0.0 113.039 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.405 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 3.8 t80 -67.0 -39.19 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 109.295 -177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.4 HG12 ' HE3' ' A' ' 101' ' ' MET . 65.1 mt -69.69 -37.76 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.151 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 8.5 m-20 -57.09 -33.98 67.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.243 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.7 mt-10 -73.53 -43.96 58.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -62.98 -48.33 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.4 p -55.68 -47.19 77.19 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 8.0 mm100 -65.48 -37.37 86.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.1 mp -72.87 -35.9 67.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -57.41 -53.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.035 0.445 . . . . 0.0 109.863 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.1 t -58.3 -47.61 83.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.13 -48.36 73.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.831 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -76.77 -22.42 53.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.953 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.34 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.443 0.64 . . . . 0.0 110.1 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 178.897 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.3 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 8' ' ' THR . 34.6 Cg_endo -66.54 -12.67 36.73 Favored 'Trans proline' 0 N--CA 1.466 -0.089 0 C-N-CA 122.199 1.933 . . . . 0.0 111.764 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.2 5.38 44.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.519 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -75.27 -24.53 57.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.238 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -139.33 132.49 15.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.52 -32.87 88.39 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 C-N-CA 123.495 2.796 . . . . 0.0 111.933 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.42 -32.46 62.25 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.589 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.75 -57.65 5.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.25 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.76 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.38 -47.92 80.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.011 0.434 . . . . 0.0 110.402 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -73.95 -28.5 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.8 -56.58 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -34.73 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.308 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.3 m-80 -57.94 -59.54 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.344 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.0 m -62.65 -36.35 82.56 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.82 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 81.3 t80 -56.73 -54.38 46.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 1.7 mmt -65.28 -35.67 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.305 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.5 mm-40 -58.44 -50.8 72.42 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.735 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -71.13 -37.93 63.64 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.187 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -58.6 -41.15 85.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.404 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -66.77 -17.94 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -96.76 2.12 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.023 0.44 . . . . 0.0 110.487 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 26.3 mmt -91.67 122.37 65.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.955 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.57 109.93 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.574 2.183 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.64 -38.77 0.58 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.252 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 53.5 m-85 -88.19 -178.6 5.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.218 0.533 . . . . 0.0 110.991 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 t -138.38 164.63 28.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.255 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.72 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.397 0.436 . . . . 0.0 111.671 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -59.93 -43.27 95.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.44 -30.6 64.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.094 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 27' ' ' LEU . 96.9 mt -68.78 -40.42 79.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -51.01 71.6 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.304 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . 39.8 m-20 -64.27 -45.99 85.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.8 ttm -58.1 -42.2 85.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.173 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 26.0 t -62.16 -46.49 88.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.419 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 m -63.65 -41.14 98.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.22 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -66.6 -40.3 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.123 0.487 . . . . 0.0 110.266 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.16 -36.67 73.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.534 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.3 mm-40 -63.95 -34.95 79.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.703 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -59.93 -39.72 86.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.124 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.8 ttm -69.12 -47.57 64.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 94.5 t -56.65 -45.12 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.482 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -61.0 -37.29 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 58.5 m -69.14 -38.25 78.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.46 -37.55 79.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.76 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.1 mm-40 -55.55 -48.17 75.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 0.0 110.054 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.3 m -64.01 -42.56 97.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.977 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 82.3 mt -61.45 -46.23 90.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.287 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.59 -3.38 50.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.07 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 -41.92 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.102 0.477 . . . . 0.0 109.99 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.96 -27.63 26.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.699 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.54 43.31 6.96 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.104 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -105.5 9.19 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 55' ' ' LEU . 1.2 m -82.54 84.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 112.18 -172.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -89.42 158.98 45.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 169.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.8 -24.98 40.7 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.67 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.0 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.045 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 27.0 mmmt -61.42 -49.76 75.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.004 0.431 . . . . 0.0 110.246 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD22 ' H ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -70.03 -33.44 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.631 -174.035 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.08 -42.49 94.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.234 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.35 66.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.3 mt -62.01 -31.97 72.4 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.602 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -53.61 -56.26 18.75 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.529 0.518 . . . . 0.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.19 -45.17 93.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.372 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -65.19 -42.16 93.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.506 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -61.5 -46.21 90.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 -32.96 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.1 p -67.21 -41.42 85.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.77 -29.99 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.048 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.361 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -36.24 82.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.348 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.72 -47.82 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.464 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -20.07 63.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.15 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.053 0.454 . . . . 0.0 110.48 175.794 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.456 0.646 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.5 -41.41 88.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.756 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -55.46 -35.3 65.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.148 0.499 . . . . 0.0 111.849 -176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.9 m -73.48 -31.42 63.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.383 0.611 . . . . 0.0 110.734 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.5 mtmm -87.68 -37.24 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.302 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 p -54.92 -46.16 74.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.968 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -60.99 -37.45 82.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -62.47 -44.88 95.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.326 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.49 -52.6 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.044 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.97 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.947 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.1 m -64.88 -36.39 84.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 120.792 0.33 . . . . 0.0 110.971 -177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.72 -34.7 34.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.5 ttp -70.28 -44.1 69.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.409 ' O ' HD13 ' A' ' 106' ' ' LEU . 32.2 m -62.07 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.455 0.645 . . . . 0.0 110.133 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.9 t30 -64.93 -33.27 75.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.56 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -36.56 83.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.504 0.669 . . . . 0.0 109.87 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 102' ' ' SER . 8.5 mp -66.47 -34.41 77.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.767 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.0 mm-40 -73.26 -30.55 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.8 p -92.27 -59.76 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -171.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -119.88 -9.8 9.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.957 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.86 1.39 88.93 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.856 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.17 145.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.67 124.8 70.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.128 0.489 . . . . 0.0 111.354 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -81.23 91.08 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.563 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.452 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.4 tp60 -64.45 -47.62 76.78 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.767 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.4 Cg_exo -47.51 -45.25 23.58 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.519 2.146 . . . . 0.0 113.3 177.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.27 -37.85 71.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.237 0.542 . . . . 0.0 110.022 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.51 -31.64 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.441 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.3 m-20 -61.95 -39.49 92.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.313 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' HD13 ' A' ' 123' ' ' LEU . 41.9 mt-10 -64.73 -51.35 62.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.68 -54.93 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -56.98 -42.99 81.22 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -171.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 76.5 mm-40 -69.58 -38.77 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 0.0 110.454 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.5 mp -69.76 -38.02 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.8 t -53.42 -58.17 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.532 0.682 . . . . 0.0 109.501 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.9 m -54.79 -46.56 74.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.773 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.4 ttp -66.37 -44.79 82.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.44 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -77.91 -25.96 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.845 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.44 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.223 0.535 . . . . 0.0 110.834 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.554 178.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.01 -21.0 72.93 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.892 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.26 12.11 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.278 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 t -62.07 -42.97 99.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.97 140.94 39.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.4 -40.46 57.61 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.086 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.72 -31.97 77.12 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.153 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.79 -58.99 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.23 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.632 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.81 -50.28 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.79 -31.37 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.867 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.11 -50.7 72.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.014 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.51 -35.85 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.723 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 7.2 m-80 -59.4 -56.88 16.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.492 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -65.15 -30.82 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.36 -52.55 65.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.123 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.793 -179.464 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 35.1 mm-40 -56.13 -42.73 77.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.37 -36.48 26.8 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.349 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 9.2 tp -68.26 -29.34 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.6 0.238 . . . . 0.0 111.595 -175.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 p -74.38 2.09 10.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 m -115.59 3.03 13.91 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.199 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.52 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.5 mmt -92.83 138.07 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -175.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.62 160.5 22.04 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.805 2.337 . . . . 0.0 111.672 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.14 -12.74 44.67 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.542 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.55 -168.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.928 0.394 . . . . 0.0 110.543 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.8 t -153.49 171.94 17.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.632 0.582 . . . . 0.0 111.967 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -68.7 -46.22 69.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.753 0.311 . . . . 0.0 110.268 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -33.86 76.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.157 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 34' ' ' THR . 98.0 mt -71.73 -43.91 65.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.67 -44.86 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.307 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.3 m-20 -61.94 -45.14 94.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.1 ttm -63.86 -35.99 82.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 43.6 t -58.94 -47.04 86.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.121 177.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.7 m -65.24 -38.36 90.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 40' ' ' ASP . 41.1 mm -67.98 -39.54 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 109.925 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -60.17 -36.21 77.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.355 176.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -67.09 -32.43 73.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 m -68.27 -34.36 76.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.08 0.467 . . . . 0.0 110.009 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.8 mmm -63.17 -47.81 81.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.811 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.64 -51.23 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.94 -36.93 70.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.756 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -68.69 -37.28 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.8 mm-40 -57.88 -34.47 69.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.198 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -81.32 -44.58 17.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.04 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 51' ' ' SER . 79.9 mt -58.41 -39.86 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.459 -178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -12.93 60.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.566 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.36 -28.97 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.307 0.575 . . . . 0.0 110.042 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -87.29 -7.5 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.69 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 39.06 84.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.943 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -123.35 25.81 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.625 0.25 . . . . 0.0 111.447 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.56 63.27 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.862 0.839 . . . . 0.0 110.86 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 m -79.68 139.95 54.81 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.344 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.03 -25.4 63.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.59 2.194 . . . . 0.0 112.83 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -69.31 -26.81 64.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.266 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.3 mttm -73.0 -49.51 28.47 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.497 0.665 . . . . 0.0 109.243 174.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.9 -39.91 87.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.289 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.8 tm0? -67.09 -43.0 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.23 71.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.04 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.0 mt -59.32 -34.71 72.66 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 7.2 t30 -52.91 -48.46 67.22 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.191 0.52 . . . . 0.0 111.248 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.6 mtm -71.6 -44.92 63.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.448 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -68.02 -37.19 81.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.016 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.91 -46.15 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.27 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.828 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.8 p -72.87 -34.26 66.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -65.46 -40.01 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.195 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.5 mtm -69.48 -32.66 71.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.084 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.67 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.138 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.0 mt-10 -57.79 -45.03 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.321 0.581 . . . . 0.0 110.405 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -67.58 -48.72 75.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.919 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.02 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 178.574 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 125' ' ' SER . 51.0 tp -55.01 -25.9 33.33 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.076 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -54.38 -39.86 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.883 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 m -77.56 -39.28 46.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -56.43 -49.63 74.01 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.617 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -60.03 -35.47 75.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.517 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 m -73.29 -42.2 62.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.698 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.52 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.8 m -61.56 -48.13 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.868 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.572 HG22 ' SD ' ' A' ' 101' ' ' MET . 65.6 mt -59.53 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.633 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.02 -32.36 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.631 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -71.37 -40.26 70.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.292 0.568 . . . . 0.0 109.77 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.75 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.769 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 97' ' ' ILE . 17.6 mtp -67.72 -47.11 70.29 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.769 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -63.5 -43.56 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.164 0.506 . . . . 0.0 110.168 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 t30 -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.01 177.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.06 86.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.924 0.393 . . . . 0.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.73 -31.66 70.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 109.393 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.05 -28.36 69.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.715 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -88.27 -28.42 21.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.827 0.346 . . . . 0.0 111.401 -176.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -88.71 -36.61 16.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.371 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.2 p -117.33 -36.49 3.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.82 -3.6 57.41 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.56 158.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.28 124.1 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.314 . . . . 0.0 110.577 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -84.17 120.2 25.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.208 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.542 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 6.5 tp-100 -86.23 -53.75 0.42 Allowed Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.6 Cg_endo -52.28 -48.64 20.75 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.891 2.394 . . . . 0.0 114.526 -170.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -71.32 -34.34 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.867 0.365 . . . . 0.0 110.465 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.93 -31.82 55.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.555 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -63.94 -31.89 73.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' HD13 ' A' ' 123' ' ' LEU . 34.0 mt-10 -86.44 -51.3 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.425 -174.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -52.96 -49.2 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 122.991 0.182 . . . . 0.0 111.251 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.7 p -54.95 -53.02 60.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -64.87 -40.14 94.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -69.55 -40.09 77.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 120' ' ' ILE . 77.7 t -56.89 -52.85 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.065 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.491 ' HA ' HD21 ' A' ' 90' ' ' LEU . 7.4 t -61.95 -46.42 89.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 58.6 ttp -61.65 -54.45 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.606 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 36.1 m-85 -66.94 -30.54 70.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.548 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.01 -54.31 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.327 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.522 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 8' ' ' THR . 56.2 Cg_endo -70.86 -13.07 31.66 Favored 'Trans proline' 0 CA--C 1.525 0.059 0 C-N-CA 122.46 2.107 . . . . 0.0 112.748 -177.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.459 ' HB2' HD22 ' A' ' 66' ' ' LEU . 10.0 m95 -103.99 15.69 27.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.404 -174.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.448 HG23 ' HB ' ' A' ' 8' ' ' THR . 24.1 p -71.4 -39.01 71.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.457 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -132.02 148.75 71.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.631 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.69 -40.17 38.78 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.765 2.31 . . . . 0.0 112.063 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.62 -34.49 87.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.992 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -60.12 4.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.27 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.964 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.32 -55.56 33.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.42 . . . . 0.0 110.384 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -66.18 -33.68 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.155 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.46 -51.87 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.521 ' O ' ' HG2' ' A' ' 24' ' ' MET . 24.0 mmt -65.7 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -62.95 -51.6 66.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.463 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -65.59 -31.26 72.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.797 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.496 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 77.4 t80 -57.66 -52.3 65.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.22 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 20' ' ' MET . 61.6 mmm -65.6 -36.14 82.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.1 -39.03 80.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -83.96 -40.12 8.94 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.096 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -60.98 -36.94 80.77 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.628 0.371 . . . . 0.0 110.913 -176.243 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -66.78 -21.25 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.885 0.374 . . . . 0.0 111.529 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -99.82 10.22 41.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.612 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 25.9 mmt -96.31 116.71 66.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.35 110.97 2.98 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.06 1.84 . . . . 0.0 111.109 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.07 -31.97 0.88 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.906 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -102.04 -171.98 2.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.797 0.332 . . . . 0.0 110.295 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -150.66 175.15 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.48 75.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.411 0.445 . . . . 0.0 111.69 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 m -66.23 -44.02 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.655 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.09 -43.01 99.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 27' ' ' LEU . 1.9 mp -57.89 -38.78 76.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.569 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.44 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.46 -46.73 69.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.758 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.594 ' SD ' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -46.57 -53.04 12.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 173.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.3 t -61.92 -37.18 83.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.084 0.469 . . . . 0.0 110.552 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.9 m -70.47 -44.01 68.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.162 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.452 HG13 HD11 ' A' ' 80' ' ' ILE . 47.1 mm -68.6 -37.08 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.208 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.46 63.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.517 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.9 mm-40 -63.42 -41.14 98.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.884 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.9 m -60.84 -38.06 84.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.642 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.7 tpp -67.69 -49.74 61.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.469 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.7 t -59.89 -46.58 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.12 -28.58 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -73.82 -44.86 54.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.188 0.518 . . . . 0.0 110.242 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.01 -34.71 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.678 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.6 mm-40 -53.93 -45.16 71.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.024 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -72.42 -40.05 67.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.08 -36.48 83.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.564 0.221 . . . . 0.0 111.357 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.01 -14.06 59.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.76 -31.0 13.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -82.93 -16.73 46.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.884 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.54 32.35 71.28 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -113.58 29.62 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 111.374 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -76.6 80.73 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.617 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -100.34 146.95 32.87 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.55 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.97 -33.01 70.75 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.111 2.541 . . . . 0.0 112.784 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 93.0 m-20 -71.86 -21.07 61.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.7 mttm -76.85 -40.62 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.588 0.708 . . . . 0.0 109.314 173.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 10' ' ' TRP . 22.0 mt -72.06 -36.56 69.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.075 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -61.91 -32.73 73.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.577 . . . . 0.0 110.421 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 -32.94 66.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.596 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.8 mt -64.04 -32.58 74.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.713 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.47 -57.98 9.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.952 0.406 . . . . 0.0 110.561 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtm -59.48 -47.94 83.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.318 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.58 -48.66 80.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.071 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -57.06 -52.46 65.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.05 79.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.898 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 m -70.65 -29.59 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.562 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -69.33 -36.71 77.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.535 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.4 mtm -73.89 -29.63 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.092 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.33 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.888 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.12 -44.57 75.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.03 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.594 HG21 ' SD ' ' A' ' 41' ' ' MET . 70.4 mt -62.77 -52.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.248 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.5 80.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.175 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.047 0.451 . . . . 0.0 110.955 -179.336 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.9 m . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 121.653 0.739 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.421 HD11 ' HB1' ' A' ' 128' ' ' ALA . 6.5 tt -76.33 -29.26 57.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.436 -174.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 m -59.65 -22.21 61.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.847 0.355 . . . . 0.0 110.829 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.8 m -90.69 -43.34 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.047 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -53.23 -43.57 67.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.534 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -64.89 -18.94 65.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -91.08 -37.95 13.09 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 18.5 m -57.85 -43.08 85.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.504 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.609 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -59.73 -50.74 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.3 74.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.745 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 t -69.16 -41.58 77.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.29 79.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.609 ' SD ' HG22 ' A' ' 97' ' ' ILE . 30.3 mtp -64.66 -45.1 88.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.732 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.446 ' O ' HD13 ' A' ' 106' ' ' LEU . 29.3 m -60.38 -47.33 86.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.205 177.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 39.4 t30 -60.29 -37.61 81.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.049 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.02 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.104 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 19.4 m-85 -61.37 -39.04 89.19 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.402 0.62 . . . . 0.0 110.577 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 102' ' ' SER . 5.2 mp -59.36 -38.06 79.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.422 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.3 mm-40 -82.58 -29.23 30.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.187 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 p -84.31 -66.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 111.733 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -108.44 -14.03 14.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.457 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.48 6.19 87.78 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.193 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 t -135.8 143.52 36.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 p -114.65 128.73 71.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 120.999 0.428 . . . . 0.0 111.022 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -89.21 98.18 11.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.487 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.422 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.0 tp60 -67.39 -46.82 49.21 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.082 -177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.2 Cg_exo -46.79 -44.14 22.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.542 2.161 . . . . 0.0 113.175 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.65 -40.5 76.46 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.797 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.418 HG23 ' HE2' ' A' ' 101' ' ' MET . 55.7 mt -65.89 -36.44 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.561 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.432 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.0 m-20 -60.5 -36.96 79.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.088 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.4 mt-10 -66.39 -47.52 73.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.498 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -57.18 -48.05 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.7 p -58.72 -42.15 88.02 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 4.4 pt20 -78.02 -9.48 59.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.523 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 81.2 mt -94.96 -41.9 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.461 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -53.93 -59.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 O-C-N 123.304 0.377 . . . . 0.0 111.051 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -45.07 89.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.145 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -63.35 -55.63 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.34 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.05 -28.94 69.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.611 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 90' ' ' LEU . . . -71.64 -58.25 3.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.737 0.303 . . . . 0.0 111.664 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.099 -178.38 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' HG22 ' A' ' 8' ' ' THR . 45.7 Cg_endo -70.19 -13.02 33.11 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.533 2.155 . . . . 0.0 112.722 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -100.94 15.0 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.05 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -67.73 -64.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.618 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.86 140.37 22.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.053 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.15 -42.76 52.1 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.839 2.36 . . . . 0.0 112.22 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.71 -39.78 97.14 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.585 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.46 -39.51 77.71 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.36 -0.494 . . . . 0.0 110.011 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.9 82.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.612 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.15 -38.21 87.56 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.098 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 108' ' ' THR . 23.9 m-80 -69.42 -37.12 77.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.419 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.35 -52.02 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 23' ' ' PHE . 19.2 mmt -63.82 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.336 . . . . 0.0 111.466 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.7 m-80 -67.57 -52.62 36.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.631 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -61.61 -32.94 73.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.502 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 20' ' ' MET . 64.0 t80 -54.54 -58.97 5.41 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.695 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.9 tpp -70.61 -32.09 69.31 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.595 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 15.9 mm100 -60.6 -35.35 75.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.019 0.437 . . . . 0.0 110.523 175.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.94 13.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.005 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.63 -31.42 72.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.556 0.217 . . . . 0.0 111.571 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -71.34 -2.44 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.975 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -108.01 2.9 23.52 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.8 mmt -99.14 136.36 20.54 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 30' ' ' MET . 5.8 Cg_exo -75.37 164.49 32.57 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.55 2.167 . . . . 0.0 111.768 173.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.78 -27.79 9.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.659 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.22 161.91 16.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 37' ' ' GLN . 11.3 t -108.58 163.72 12.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 170.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.88 66.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -62.28 -32.86 73.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.095 0.474 . . . . 0.0 111.173 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG3' ' CG2' ' A' ' 34' ' ' THR . 74.5 mt-30 -80.85 -40.33 25.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.072 -178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.11 -39.96 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.572 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.16 -42.02 98.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.975 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.471 ' O ' HG12 ' A' ' 44' ' ' ILE . 13.5 t70 -66.53 -48.74 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.85 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.5 ttm -58.88 -40.76 85.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.302 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 15.5 t -63.75 -39.68 94.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.399 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -67.84 -42.52 81.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.817 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.0 mm -65.82 -36.98 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.308 0.575 . . . . 0.0 110.13 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.61 -38.34 74.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.809 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.6 mm-40 -63.99 -33.72 76.37 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -63.73 -42.17 97.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.0 mtp -63.85 -42.03 97.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.066 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 93.8 t -56.61 -50.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.52 177.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.03 -35.94 78.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -66.93 -39.38 87.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.7 mt -74.32 -32.39 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.192 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -53.06 -48.06 67.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 110.423 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.5 m -79.81 -34.36 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.123 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 HD11 ' HD2' ' A' ' 65' ' ' LYS . 44.7 tp -57.01 -49.46 75.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.62 7.02 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 -34.37 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.176 0.512 . . . . 0.0 109.743 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -83.45 -7.39 59.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.701 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.12 24.01 77.49 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.42 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 60' ' ' ARG . 49.1 mtt180 -99.19 18.24 17.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.225 0.536 . . . . 0.0 110.994 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -73.03 105.07 4.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.799 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.467 ' O ' HD22 ' A' ' 66' ' ' LEU . 3.4 m -119.58 149.31 47.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.93 -40.77 49.03 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.961 2.441 . . . . 0.0 113.153 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.25 -35.73 78.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HD2' HD11 ' A' ' 55' ' ' LEU . 30.8 mttp -66.82 -40.37 87.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.8 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -69.75 -33.9 73.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 110.093 178.366 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.3 tt0 -63.31 -40.32 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.92 87.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 88.9 mt -64.79 -29.07 70.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 25.0 t-20 -60.75 -53.57 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.338 0.59 . . . . 0.0 109.995 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.57 -45.01 73.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.871 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -54.51 -46.44 73.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.82 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -58.67 -48.83 79.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.39 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.18 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.623 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.1 p -69.83 -39.0 76.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -61.88 -35.34 78.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.956 0.408 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.0 mtm -75.14 -36.61 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.953 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.29 -38.28 83.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.467 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.6 -47.09 83.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.409 0.623 . . . . 0.0 110.343 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.5 -38.06 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.684 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . . . -66.6 -17.36 64.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.371 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.74 176.673 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 23.1 t . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' THR . 50.5 tp -70.74 -35.18 72.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.646 0.26 . . . . 0.0 110.356 176.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -53.16 -39.83 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.513 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 m -78.97 -44.03 23.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.768 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 89' ' ' SER . 61.9 mttp -53.46 -51.15 63.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 90' ' ' LEU . 10.2 t -69.69 -10.97 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.671 -175.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 m -95.11 -43.86 7.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.929 0.395 . . . . 0.0 110.415 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.523 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 54.1 m -55.11 -41.08 71.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.617 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.615 HG22 ' SD ' ' A' ' 101' ' ' MET . 68.9 mt -58.43 -47.06 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.02 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.43 99.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.145 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m -67.33 -32.64 73.73 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.0 0.429 . . . . 0.0 110.582 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.47 64.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.575 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.615 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.2 mtp -65.85 -44.48 85.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 27.0 t -64.35 -40.23 95.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.252 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 41.5 t-20 -55.36 -48.09 74.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.257 174.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.27 78.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.894 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -66.14 -32.17 73.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.229 0.538 . . . . 0.0 110.412 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 102' ' ' SER . 63.1 mt -73.81 -20.56 60.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.661 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 50.5 mm-40 -97.42 -18.66 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.1 p -92.32 -65.17 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -34.98 6.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.007 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.61 -11.14 38.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.5 t -111.55 142.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.9 t -103.65 137.36 32.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.087 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -109.52 102.79 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.564 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 7.2 tp-100 -66.57 -49.68 50.13 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 7.8 Cg_endo -49.33 -37.07 39.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.807 2.338 . . . . 0.0 114.142 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -73.4 -24.14 60.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.908 0.385 . . . . 0.0 111.073 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.13 -33.11 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.458 0.646 . . . . 0.0 109.672 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -61.46 -45.63 93.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.541 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.9 mt-10 -62.73 -55.56 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.391 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.53 -48.35 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.696 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 p -58.26 -42.42 86.41 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.17 -40.3 94.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 67.8 mt -70.21 -35.63 74.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.134 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 120' ' ' ILE . 87.0 t -56.84 -59.09 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 121.62 0.724 . . . . 0.0 109.659 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 m -58.97 -25.32 63.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.821 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.6 ttm -82.36 -60.21 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 111.036 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -69.61 -24.79 63.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.332 -172.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.46 98.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.197 0.522 . . . . 0.0 110.881 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.997 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 35.0 Cg_endo -64.74 -17.82 60.66 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.603 2.202 . . . . 0.0 112.944 -176.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -96.23 5.31 51.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.221 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -73.46 -27.71 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 111.042 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -136.43 135.84 21.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.5 Cg_exo -53.65 -43.42 57.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.844 2.362 . . . . 0.0 111.759 173.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.03 -38.19 95.67 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.466 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.9 -40.21 79.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 110.171 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.4 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.673 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 10.2 pt-20 -65.79 -39.68 91.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.167 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.85 -38.29 79.68 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.688 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.41 -47.52 81.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.217 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 24' ' ' MET . 25.5 mmt -65.29 -37.37 86.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 6.1 m-80 -58.46 -54.43 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.702 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -67.4 -31.44 71.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 80.5 t80 -58.11 -55.22 37.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.554 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.9 mmm -64.71 -33.86 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.692 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 57.8 mt-30 -58.08 -49.08 78.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.025 0.44 . . . . 0.0 110.803 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -77.46 -33.1 44.64 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.224 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 23' ' ' PHE . 13.6 tp -68.8 -32.69 72.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 111.007 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.0 m -97.67 -5.48 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.449 . . . . 0.0 110.231 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.453 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.4 mmt -85.58 133.62 41.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.82 144.87 31.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.573 2.182 . . . . 0.0 112.2 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.35 -26.78 5.7 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -109.37 -170.97 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.389 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.8 t -154.24 168.8 25.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.075 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.11 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.27 0.356 . . . . 0.0 111.74 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -46.12 91.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.101 0.476 . . . . 0.0 110.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -68.8 -38.29 79.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.967 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.4 mt -67.51 -36.1 80.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.77 -46.02 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.275 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.487 ' O ' HG12 ' A' ' 44' ' ' ILE . 14.0 t70 -64.81 -43.83 91.86 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.93 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.8 ttm -60.92 -41.1 95.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.863 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 24.7 m -62.68 -41.67 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.069 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.2 m -64.66 -45.5 86.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.2 mm -65.32 -35.8 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.257 0.551 . . . . 0.0 110.075 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.68 -36.76 72.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.359 175.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 42' ' ' SER . 24.5 mm-40 -67.69 -37.1 81.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.248 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -61.97 -42.61 99.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 110.045 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.8 mmm -58.82 -50.15 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.5 t -57.72 -49.62 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -57.23 -36.59 71.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.817 0.341 . . . . 0.0 111.57 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -67.57 -45.56 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.549 . . . . 0.0 110.078 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.3 mt -68.37 -33.36 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.187 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.2 mm-40 -51.82 -39.21 58.38 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.004 0.43 . . . . 0.0 110.929 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -92.06 -40.11 11.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.12 -50.52 72.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.412 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.75 -2.21 49.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.45 -38.15 9.31 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -79.11 0.81 26.57 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.842 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.44 32.61 84.77 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.601 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.456 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 96.6 mtt180 -107.88 17.75 22.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.298 0.57 . . . . 0.0 110.785 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.91 80.88 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.167 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -83.4 149.65 58.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.692 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.54 -40.04 29.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.971 2.447 . . . . 0.0 112.714 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.324 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.1 mttm -64.79 -44.95 88.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.923 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 26.3 tt0 -62.01 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.433 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HA ' ' CE ' ' A' ' 71' ' ' MET . . . -65.68 -34.52 78.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.884 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 84.5 mt -65.15 -28.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.737 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.526 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 9.0 t30 -59.71 -56.25 24.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.152 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.431 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 66.8 mtm -62.48 -42.17 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.017 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -58.78 6.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -58.82 -49.75 76.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.638 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.34 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.5 p -70.61 -30.3 66.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.419 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB3' HG21 ' A' ' 44' ' ' ILE . 55.8 m -62.94 -36.83 84.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.852 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.9 mtm -76.64 -33.64 58.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.97 91.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.259 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.56 -43.54 68.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.041 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.6 mt -76.91 -46.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.02 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.52 68.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.076 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.894 178.11 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.74 -35.55 81.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -57.44 -32.51 66.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 m -79.05 -39.23 34.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.062 0.458 . . . . 0.0 110.191 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.15 -43.63 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.455 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -68.48 -29.92 68.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.707 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -84.39 -34.9 23.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.304 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 30' ' ' MET . 3.2 p -66.83 -43.26 84.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.006 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.9 mt -55.97 -48.6 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.408 . . . . 0.0 110.545 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.21 83.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.421 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -73.9 -41.72 61.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.781 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtm -66.16 -45.08 82.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.711 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.2 m -57.58 -45.41 85.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.893 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 38.4 t30 -64.07 -36.81 85.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.068 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.48 88.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.127 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.525 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 33.0 m-85 -58.98 -36.71 75.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.284 0.564 . . . . 0.0 109.927 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.23 -21.01 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.936 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.8 mm-40 -95.58 -16.96 21.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.2 p -103.42 -67.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.844 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 t -104.81 -18.78 14.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.75 -14.97 63.46 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.819 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.5 t -119.04 145.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.3 t -97.62 133.06 40.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.418 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -97.64 96.46 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 109.943 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.615 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.3 tp60 -65.76 -49.25 60.74 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.263 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -43.22 -47.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.373 2.715 . . . . 0.0 114.272 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -72.68 -42.23 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.26 -31.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.6 m-20 -61.3 -42.69 99.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.48 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -74.95 -45.26 43.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.23 -51.22 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 122.96 0.163 . . . . 0.0 111.269 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.7 p -57.54 -37.37 72.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.96 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 28.7 mm-40 -67.64 -45.99 73.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.83 -40.06 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.329 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.8 t -52.48 -59.7 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 121.742 0.782 . . . . 0.0 110.164 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 m -54.36 -36.59 64.01 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 113.947 -1.479 . . . . 0.0 112.112 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 56.4 ttp -80.17 -49.46 11.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.973 0.416 . . . . 0.0 111.333 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -70.39 -26.18 63.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.83 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 110.681 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.592 -179.663 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' HG22 ' A' ' 8' ' ' THR . 35.9 Cg_endo -65.6 -20.99 59.96 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.409 2.073 . . . . 0.0 112.494 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -99.46 23.36 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.08 -49.52 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.827 0.346 . . . . 0.0 111.677 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -122.5 146.53 47.74 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.451 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.6 -51.97 7.99 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 123.167 2.578 . . . . 0.0 112.219 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -28.81 73.66 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.172 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.86 -59.64 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.47 -39.91 70.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.641 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.67 -52.33 64.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.05 -32.41 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.643 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.71 -50.9 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.322 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.67 -36.1 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.532 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.6 m-80 -60.17 -52.83 63.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.466 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -69.34 -29.94 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.679 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -57.4 -51.19 70.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.211 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.56 -32.05 72.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.3 mm100 -58.24 -33.06 68.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.101 0.477 . . . . 0.0 111.078 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -92.92 -35.97 6.2 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.113 177.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -63.68 -20.24 65.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.076 0.465 . . . . 0.0 110.968 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -101.06 2.65 40.62 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.846 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.8 mmt -84.72 125.82 70.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.952 -178.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.69 132.17 21.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.729 2.286 . . . . 0.0 111.93 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 130.8 -28.46 3.72 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.996 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -108.59 -173.19 2.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.996 0.426 . . . . 0.0 110.759 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.551 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 t -153.17 163.16 40.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.19 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.436 0.46 . . . . 0.0 111.594 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -61.22 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.49 -30.24 57.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 0.0 110.274 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 34' ' ' THR . 83.6 mt -71.88 -36.53 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.714 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.63 -55.75 28.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.4 m-20 -63.8 -39.47 94.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.0 ttm -63.11 -37.89 89.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.766 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 48.3 t -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 m -66.98 -34.41 77.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.886 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.1 mm -65.57 -39.78 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 109.85 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.48 71.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.352 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.4 mm-40 -62.87 -35.36 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.646 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -69.67 -20.22 63.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.449 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 tpp -88.24 -57.01 3.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.685 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 47.2 t -66.46 -52.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.612 -173.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -20.15 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.69 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 t -75.36 -45.37 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.16 -29.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.4 mm-40 -52.95 -38.7 62.28 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.192 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -97.15 -32.8 11.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.345 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.01 -48.41 80.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.54 -6.82 59.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.697 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.85 -33.18 12.93 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -89.47 -6.67 56.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.859 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.52 49.87 47.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.202 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -124.98 18.98 8.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 0.0 110.235 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -86.46 98.42 11.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.601 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -100.79 146.67 32.48 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.828 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.26 -31.58 47.06 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.066 2.51 . . . . 0.0 112.413 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.6 -35.38 75.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.927 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 62.8 mttt -71.22 -40.92 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.079 0.466 . . . . 0.0 110.067 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.47 -44.35 87.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.627 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.0 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.745 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.7 mt -66.17 -25.45 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.447 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -49.08 -52.43 25.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.6 0.562 . . . . 0.0 111.718 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.42 -59.19 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.211 -173.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.59 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.762 -173.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -61.39 -48.32 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.991 0.424 . . . . 0.0 110.052 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.34 -47.91 74.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.51 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.655 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 78.5 p -65.96 -38.94 89.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.943 -173.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 m -63.14 -34.93 78.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.6 mtm -74.79 -35.71 62.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.541 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -61.7 -40.43 95.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.597 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' 75' ' ' SER . 34.3 mt-10 -61.99 -32.24 72.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.765 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.5 mt -77.15 -45.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.456 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.19 -29.15 70.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.942 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.565 178.315 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.236 0.381 0 CA-C-O 120.806 0.336 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.0 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 m -62.94 -34.07 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 m -81.38 -36.04 30.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 110.03 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 45.1 mttt -57.42 -52.21 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.972 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.414 HG21 ' OG ' ' A' ' 125' ' ' SER . 22.9 p -59.94 -44.78 94.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 111.202 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -63.2 -36.65 84.35 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.136 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 74.0 m -63.35 -47.84 80.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.64 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.7 mt -58.96 -49.14 84.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.556 -178.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.19 73.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 t -72.18 -34.37 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 0.0 109.831 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.89 56.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.645 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.64 ' SD ' HG22 ' A' ' 97' ' ' ILE . 24.2 mtp -65.21 -46.16 81.83 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 106' ' ' LEU . 12.4 p -63.92 -46.33 85.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.089 0.471 . . . . 0.0 110.41 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 36.4 t30 -58.17 -41.47 83.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.944 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.001 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -41.67 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.314 0.578 . . . . 0.0 109.995 174.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 102' ' ' SER . 5.8 mp -61.75 -30.93 71.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.566 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 20.0 mm-40 -84.61 -32.27 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.299 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 p -86.46 -43.93 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 111.4 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -119.35 -37.43 3.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.944 0.402 . . . . 0.0 111.368 -174.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.34 -5.55 52.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.39 154.27 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.33 132.07 70.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.273 0.559 . . . . 0.0 111.223 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -84.09 100.9 11.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.944 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.2 tp60 -68.69 -49.56 28.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.6 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.8 Cg_endo -46.35 -46.31 17.2 Favored 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.192 2.594 . . . . 0.0 114.103 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' O ' HD13 ' A' ' 120' ' ' ILE . 15.0 m-85 -70.97 -40.25 72.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.535 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.1 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.602 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.7 m-20 -59.69 -48.73 80.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.45 -47.94 74.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.226 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.709 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -53.45 -52.21 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 121.32 -0.152 . . . . 0.0 111.114 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.8 p -58.56 -39.57 80.65 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.9 mm-40 -67.86 -45.0 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.274 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.15 -36.74 82.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.419 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -54.16 -58.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.567 0.699 . . . . 0.0 109.781 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.414 ' OG ' HG21 ' A' ' 94' ' ' THR . 58.2 m -55.76 -41.23 73.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.705 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -72.06 -54.48 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.199 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.88 -27.55 69.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.602 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.78 93.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.077 0.465 . . . . 0.0 111.051 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 -178.358 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.492 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' HG22 ' A' ' 8' ' ' THR . 36.4 Cg_endo -66.66 -16.46 50.6 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.637 2.224 . . . . 0.0 112.992 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -91.53 16.16 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.611 0.243 . . . . 0.0 111.163 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -72.39 -37.11 68.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.0 111.586 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 15.7 t30 -132.99 129.19 20.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.484 0.659 . . . . 0.0 111.18 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 48.4 Cg_exo -51.58 -39.39 65.52 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 123.934 3.09 . . . . 0.0 111.814 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.86 -43.26 99.19 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.086 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 tp -64.95 -44.57 88.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.596 0.236 . . . . 0.0 110.392 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -60.61 -42.5 96.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.56 -58.73 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -56.62 -33.32 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.512 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.78 -50.16 72.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.255 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 25.8 mmt -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.546 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -56.29 16.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.772 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -68.57 -29.7 68.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.951 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 81.9 t80 -57.45 -50.63 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.355 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 51.3 mmm -63.8 -35.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.28 -39.8 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.98 -38.91 17.93 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.069 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -62.97 -34.02 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.679 0.391 . . . . 0.0 111.073 -177.237 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.488 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.5 p -69.35 -15.24 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -100.8 8.92 42.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.1 mmt -100.81 115.24 65.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.592 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.61 106.63 2.0 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.617 2.212 . . . . 0.0 112.53 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.12 -37.61 0.41 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.332 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.702 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 66.1 m-85 -96.69 144.55 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.512 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.457 HG22 ' HG2' ' A' ' 37' ' ' GLN . 9.0 t -102.76 171.98 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.44 76.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.559 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -62.72 -40.02 95.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.191 0.519 . . . . 0.0 110.791 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG2' HG22 ' A' ' 34' ' ' THR . 13.2 mm-40 -71.5 -40.25 70.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.877 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.513 ' CD1' HD12 ' A' ' 27' ' ' LEU . 5.3 tp -64.2 -40.45 96.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.1 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.62 -38.06 89.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.371 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.2 t70 -66.27 -47.89 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.415 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.7 mtt -50.54 -54.21 24.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.552 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.3 t -58.65 -42.82 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.341 -174.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 m -67.94 -45.72 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.55 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -64.81 -39.67 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.201 0.524 . . . . 0.0 110.048 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.21 -39.75 72.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.438 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 42' ' ' SER . 20.2 mm-40 -65.82 -35.02 79.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.768 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -62.67 -44.67 95.65 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.852 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.5 ppp? -72.5 -31.27 65.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.354 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 84.9 t -67.14 -41.67 87.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.624 0.249 . . . . 0.0 110.539 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 30.3 mm-40 -60.98 -30.18 70.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.027 0.442 . . . . 0.0 110.617 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -70.7 -38.75 73.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.782 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.89 -36.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.766 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.6 mm-40 -50.05 -52.28 35.65 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.389 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -74.07 -37.07 64.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.687 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD11 ' HD2' ' A' ' 65' ' ' LYS . 30.8 tp -56.43 -50.21 72.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.243 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.81 55.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.76 -33.36 11.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.336 0.588 . . . . 0.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -94.39 1.86 55.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.274 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.04 46.92 93.58 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.521 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -123.66 21.64 9.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.213 0.53 . . . . 0.0 110.258 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -74.61 79.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.211 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -92.4 140.82 24.27 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -51.24 -32.12 39.59 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.011 2.474 . . . . 0.0 113.584 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -59.73 -32.76 70.85 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.071 0.463 . . . . 0.0 110.804 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 10.2 mttm -72.47 -35.78 68.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 109.704 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.43 -34.28 60.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.93 -40.63 96.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.01 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.33 75.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.881 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.0 mt -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.642 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.88 -52.45 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.218 0.533 . . . . 0.0 110.21 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.1 mtm -68.94 -49.33 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 72' ' ' ARG . 27.8 mtt180 -56.53 -48.46 77.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.603 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.83 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 -52.4 62.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.086 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -69.52 -29.37 66.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -67.1 -36.98 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.642 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -77.38 -30.43 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.412 . . . . 0.0 110.183 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -56.14 -45.18 79.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.422 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 0.0 110.796 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.33 -44.78 90.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.504 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.25 -25.83 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.689 -179.229 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.46 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 29.6 t . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.654 0.264 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -47.88 65.32 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t -52.92 -39.62 62.94 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.542 0.526 . . . . 0.0 111.172 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.52 -43.97 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.381 0.61 . . . . 0.0 110.127 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.702 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.6 mtmm -75.98 -38.35 57.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.449 -174.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.254 0.549 . . . . 0.0 110.511 174.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.8 m -70.12 -23.19 62.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.269 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -69.86 -33.06 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 101' ' ' MET . 62.7 mt -71.6 -48.66 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -61.88 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.258 -175.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 p -69.02 -44.67 72.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.358 0.599 . . . . 0.0 110.119 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.94 -36.21 80.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.895 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.606 ' SD ' HG22 ' A' ' 97' ' ' ILE . 25.8 mtp -66.0 -48.25 71.82 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.4 t -59.58 -49.18 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.237 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 29.7 t30 -60.29 -40.46 90.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.423 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.29 85.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.31 . . . . 0.0 111.487 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.501 0.667 . . . . 0.0 109.313 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.434 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 14.1 tp -61.29 -25.55 67.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.163 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 54.4 mm-40 -94.75 -27.27 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 111.236 -177.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 p -84.75 -58.77 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.726 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 t -103.2 -19.61 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 0.0 110.891 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 95.35 -11.26 69.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 175.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.3 t -127.01 148.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.52 117.6 51.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -53.18 -53.89 50.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.774 -1.103 . . . . 0.0 113.513 -171.244 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.7 Cg_endo -43.55 -42.75 11.18 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 123.752 2.968 . . . . 0.0 115.337 -171.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -73.65 -23.27 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.146 -0.346 . . . . 0.0 111.552 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.9 mt -73.6 -31.59 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 110.154 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -66.16 -39.22 89.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.691 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.1 mt-10 -65.6 -55.17 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.953 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.79 -47.23 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.624 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 12.4 p -59.99 -43.11 95.37 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -174.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -69.23 -36.62 77.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.8 mp -68.59 -41.33 79.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' ILE . 83.8 t -57.94 -50.96 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 t -56.35 -42.74 78.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.166 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 49.3 ttp -77.06 -52.82 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.048 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.38 -26.03 65.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.95 -53.61 53.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 0.0 111.038 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.828 0.347 . . . . 0.0 111.042 -178.325 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.503 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 4.6 m . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.0 Cg_endo -57.68 -14.18 16.5 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.917 2.412 . . . . 0.0 113.142 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -100.43 19.5 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.072 0.463 . . . . 0.0 109.89 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -70.08 -33.95 72.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.481 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -147.14 150.42 38.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.541 -175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 52.8 Cg_exo -53.73 -50.39 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.968 2.445 . . . . 0.0 111.543 173.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.66 41.89 2.59 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.959 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.98 -55.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.16 -42.02 65.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.614 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.56 -35.35 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.526 -177.345 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -64.77 -37.69 88.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.018 0.437 . . . . 0.0 110.178 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.73 -50.44 72.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.866 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.73 -35.6 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.741 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -62.56 -54.21 43.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -64.7 -31.36 72.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.617 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 63.8 t80 -58.94 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.511 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.68 -40.67 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.996 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.25 -31.75 73.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.296 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.57 -42.15 14.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.396 173.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.45 -36.03 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.045 0.538 . . . . 0.0 111.228 -178.121 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -72.41 -7.08 47.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.698 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -106.92 0.04 23.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 23.3 mmt -98.08 133.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.301 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.27 143.55 25.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.46 2.107 . . . . 0.0 111.941 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.7 -28.1 6.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.611 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -109.02 -165.84 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -161.41 170.63 19.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.52 68.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.226 0.329 . . . . 0.0 111.479 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -58.87 -46.61 87.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 80' ' ' ILE . 1.9 mp0 -64.34 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.119 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD11 HD12 ' A' ' 27' ' ' LEU . 9.1 mp -69.18 -34.02 74.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.641 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.0 -51.26 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.85 0.357 . . . . 0.0 110.29 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 m-20 -62.06 -42.78 99.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.506 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.72 -37.33 86.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.672 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 47.1 t -63.92 -45.01 91.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.4 m -59.53 -44.13 93.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.07 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.4 mm -66.43 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.166 0.508 . . . . 0.0 110.076 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.49 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.577 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.9 mm-40 -66.88 -40.1 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.491 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -61.21 -36.71 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.981 0.42 . . . . 0.0 110.14 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.5 tpp -64.51 -57.2 9.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.9 t -57.26 -46.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.524 -176.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -62.92 -30.5 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 111.616 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -76.55 -31.3 57.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.901 0.381 . . . . 0.0 110.327 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.63 -38.82 79.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.7 mm100 -55.83 -40.14 72.4 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.51 175.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.8 m -70.42 -43.13 70.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.895 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.64 -43.4 93.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.422 0.154 . . . . 0.0 111.313 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.82 61.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.94 0.4 . . . . 0.0 111.624 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.89 -31.83 13.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.392 0.615 . . . . 0.0 109.812 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -85.41 -14.83 45.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.624 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.43 29.11 71.83 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.4 34.76 5.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.208 . . . . 0.0 111.389 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.531 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 1.7 m -65.78 -70.87 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.689 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.448 ' HB2' ' HD2' ' A' ' 63' ' ' PRO . 88.3 p 50.8 160.46 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 124.567 1.147 . . . . 0.0 112.817 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 62' ' ' SER . 42.0 Cg_endo -69.11 -15.74 39.76 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 121.627 1.551 . . . . 0.0 112.116 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.654 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.1 t-20 -74.76 -39.59 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.728 -175.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.531 ' HD3' ' O ' ' A' ' 61' ' ' THR . 0.8 OUTLIER -69.05 -39.49 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.493 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -39.4 92.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.236 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -68.06 -34.12 75.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.103 0.478 . . . . 0.0 110.286 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.59 -43.3 60.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.572 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.1 mt -60.32 -33.54 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.209 176.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.08 -42.96 73.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.291 0.567 . . . . 0.0 111.024 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.4 mtm -79.49 -44.9 20.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.538 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.53 -31.32 70.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.44 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -64.03 -44.31 92.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 0.0 110.691 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.76 88.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.311 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.3 p -72.21 -36.57 69.2 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -65.66 -38.36 89.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.8 mtm -69.89 -33.96 72.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.159 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.87 83.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.95 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 75' ' ' SER . 68.7 mm-40 -56.93 -45.4 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 0.0 110.293 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.541 HG22 ' HG3' ' A' ' 37' ' ' GLN . 83.9 mt -68.91 -45.71 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.004 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.25 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.652 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.718 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.8 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.766 0.317 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.1 tp -86.31 -26.97 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.971 0.415 . . . . 0.0 110.307 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -57.09 -44.65 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.3 m -76.46 -30.65 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.151 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' SER . 64.6 mttp -61.36 -46.42 90.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.3 p -60.3 -45.09 94.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.817 0.341 . . . . 0.0 111.524 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -34.49 78.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -65.77 -39.84 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.746 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 101' ' ' MET . 68.3 mt -65.32 -43.92 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 0.0 110.059 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -59.71 -46.37 89.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.998 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -69.06 -44.2 73.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.022 0.439 . . . . 0.0 110.6 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.66 92.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.963 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.8 mtm -67.32 -44.8 78.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t -57.62 -46.29 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.263 0.554 . . . . 0.0 109.885 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 16.4 t30 -62.26 -39.73 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.04 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.56 81.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.712 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.431 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 17.3 t80 -70.68 -30.57 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.492 0.663 . . . . 0.0 109.349 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 106' ' ' LEU . 11.5 tp -61.85 -25.97 67.85 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.575 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 48.5 mm-40 -96.77 -12.94 23.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.491 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.7 p -99.17 -31.01 11.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.043 0.449 . . . . 0.0 110.982 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.9 p -123.96 -42.26 2.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.6 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.83 -1.93 38.77 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 t -120.54 156.48 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.43 122.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.673 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -101.56 101.44 12.01 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -78.88 -46.17 1.79 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.23 -50.69 5.29 Favored 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 123.106 2.537 . . . . 0.0 114.363 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.22 -40.72 86.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 31.6 mt -61.97 -37.68 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -60.41 -50.88 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.62 -47.45 84.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.93 -51.94 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.46 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 98' ' ' ALA . 31.7 p -58.91 -43.01 90.96 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.34 -30.54 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.116 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 mp -75.53 -37.87 59.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.999 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.5 t -55.47 -52.3 48.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.08 0.467 . . . . 0.0 110.059 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -57.37 -50.35 73.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.974 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.5 ttp -64.29 -49.57 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.788 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -70.81 -28.61 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.18 81.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 111.668 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -176.833 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.526 ' HB ' HG23 ' A' ' 11' ' ' THR . 1.5 m . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' HG22 ' A' ' 8' ' ' THR . 72.3 Cg_endo -75.61 -12.81 20.33 Favored 'Trans proline' 0 CA--C 1.526 0.093 0 C-N-CA 122.699 2.266 . . . . 0.0 113.527 -172.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.437 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.3 m95 -103.59 13.03 34.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.129 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.526 HG23 ' HB ' ' A' ' 8' ' ' THR . 9.5 p -75.74 -54.39 7.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.0 111.243 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.46 135.31 19.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.894 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -64.39 -36.29 45.54 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.417 2.078 . . . . 0.0 111.879 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.29 69.92 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.485 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.82 -46.01 73.06 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.97 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.096 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.75 -52.51 64.73 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.603 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -68.52 -36.76 79.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.378 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -59.53 -50.0 75.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.434 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 18.9 mmt -64.07 -31.27 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.9 m-80 -68.3 -53.85 21.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.602 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.4 m -63.42 -29.21 70.54 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.019 0.438 . . . . 0.0 110.658 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.58 -51.38 70.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.301 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mmt -71.07 -32.48 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.84 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 55.4 mt-30 -58.2 -33.13 68.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 110.347 176.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -90.25 -40.9 5.66 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.182 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.3 -34.91 74.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.595 0.358 . . . . 0.0 110.842 -177.205 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -69.79 -8.22 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -118.76 12.96 13.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.044 0.45 . . . . 0.0 110.761 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -94.16 138.31 22.6 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.05 139.55 39.49 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.91 2.406 . . . . 0.0 113.009 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.6 -39.94 2.63 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.714 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 95.8 m-85 -88.91 -175.97 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.0 t -156.76 168.37 27.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.942 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.11 68.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -65.87 -37.69 86.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -74.54 -34.91 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.822 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 34' ' ' THR . 91.0 mt -65.15 -39.64 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.63 -49.68 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.773 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.37 -49.38 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.934 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.376 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.9 t -64.56 -36.83 85.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.895 -178.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.2 m -65.46 -41.35 93.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' A' ' 76' ' ' SER . 42.2 mm -66.61 -37.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.123 0.487 . . . . 0.0 109.845 177.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -58.09 -38.9 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.549 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.3 mm-40 -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.575 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t -62.19 -37.27 84.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.249 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 mtp -68.57 -48.21 64.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.2 t -57.54 -47.84 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.962 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -64.37 -26.31 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 t -76.77 -46.92 23.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.71 -30.33 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.136 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.7 mm-40 -50.53 -39.46 49.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.265 176.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -96.94 -37.98 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.83 -42.43 93.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.73 0.3 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.42 -13.27 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.681 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.54 -31.0 15.38 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.01 -4.81 58.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.638 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.62 31.96 81.68 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.572 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -110.85 19.09 18.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.553 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 10.0 t -99.72 68.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.342 1.068 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -74.35 159.61 83.26 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.27 -32.36 10.48 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.512 2.808 . . . . 0.0 113.3 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -60.52 -34.41 74.06 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.456 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -65.7 -45.63 82.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -31.66 71.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.53 -42.71 99.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.64 -48.6 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.788 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 2.7 pp -68.96 -21.51 64.18 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.022 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.524 ' N ' HD12 ' A' ' 69' ' ' LEU . 21.0 t-20 -51.73 -49.24 62.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.207 0.527 . . . . 0.0 109.753 175.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.4 mtm -66.09 -54.06 30.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.389 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 72' ' ' ARG . 30.5 mmt180 -67.23 -30.01 69.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.18 -176.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -61.71 -54.75 38.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.8 82.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.672 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 24.9 p -73.61 -22.61 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 44' ' ' ILE . 79.9 p -68.93 -39.27 79.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.332 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.38 -28.7 64.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.124 174.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.9 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 75' ' ' SER . 7.6 mm-40 -54.74 -31.75 58.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.454 0.645 . . . . 0.0 111.033 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.0 mt -93.0 -47.02 13.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.341 -177.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.79 63.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.176 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 111.068 179.149 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.519 ' HB3' ' OG1' ' A' ' 92' ' ' THR . 40.4 t . . . . . 0 C--O 1.235 0.3 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.72 -32.5 73.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.138 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 89' ' ' SER . 28.5 m -65.12 -43.67 91.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.51 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.2 mtmm -81.58 -23.79 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.132 -172.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 p -68.77 -38.65 80.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.4 m -68.35 -38.15 81.16 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.358 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 72.7 m -54.58 -49.48 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.589 177.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.581 HG22 ' SD ' ' A' ' 101' ' ' MET . 66.2 mt -60.5 -49.51 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.59 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.684 -176.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -68.48 -40.42 80.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.47 -36.87 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.669 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.581 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.4 mtp -66.07 -48.6 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.686 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.95 -46.71 88.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.4 t30 -62.11 -36.6 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.112 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.92 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.228 . . . . 0.0 110.956 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 31.9 m-85 -58.2 -44.1 87.94 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.277 0.56 . . . . 0.0 110.094 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.53 -32.47 74.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.532 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 29.5 mm-40 -73.7 -33.52 64.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 p -96.28 -70.14 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 t -100.48 -17.95 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.745 -173.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.55 -15.13 62.17 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.883 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 5.2 t -115.25 139.82 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -100.97 138.46 25.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.195 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -84.51 110.64 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.5 tp60 -79.31 -51.47 1.25 Allowed Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 9.9 Cg_endo -50.7 -52.88 8.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 123.024 2.483 . . . . 0.0 114.448 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -74.34 -28.12 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.473 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.6 mt -64.73 -31.03 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.986 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -70.41 -18.05 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 22.1 mt-10 -96.48 -53.12 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -49.68 -47.42 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 123.336 0.397 . . . . 0.0 111.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -56.02 -48.69 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -68.74 -34.68 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.491 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.4 mt -66.91 -45.09 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 120' ' ' ILE . 97.6 t -53.45 -52.33 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.002 0.429 . . . . 0.0 110.111 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -57.92 -52.38 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.355 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.22 -47.56 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.727 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -67.94 -37.83 82.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.679 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.55 98.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 111.448 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.714 -176.525 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.512 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 6.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.8 Cg_endo -56.0 -15.59 14.14 Favored 'Trans proline' 0 N--CA 1.476 0.466 0 C-N-CA 123.31 2.673 . . . . 0.0 113.721 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.536 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 8.7 m95 -100.49 3.4 42.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.833 -176.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -67.25 -24.26 65.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.139 0.495 . . . . 0.0 110.735 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.483 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.5 t30 -140.98 131.72 13.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.054 177.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 19.0 Cg_endo -63.26 -31.32 74.05 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.441 2.761 . . . . 0.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.77 88.12 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.27 -46.42 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.55 -40.64 83.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.196 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.39 -59.08 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -64.49 -35.77 82.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.42 -48.8 80.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.717 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.0 mmt -64.67 -33.17 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 111.043 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -65.91 -54.53 25.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.813 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -64.05 -31.7 72.99 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.773 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.31 -53.25 59.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.395 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 2.5 mmt -64.38 -38.08 89.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -56.78 -43.88 81.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.277 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.69 -35.97 38.94 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.827 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.83 -32.83 74.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.611 0.243 . . . . 0.0 110.836 -176.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 p -72.94 -4.13 30.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.736 0.303 . . . . 0.0 111.744 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -113.56 7.42 17.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.283 0.564 . . . . 0.0 109.842 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.598 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.1 mmt -93.0 145.0 29.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.336 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.26 130.81 9.36 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.822 2.348 . . . . 0.0 111.629 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 133.99 -41.03 1.51 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.648 176.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.87 -171.01 1.82 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 111.523 -175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 12.1 t -152.89 169.98 21.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.36 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.257 0.348 . . . . 0.0 111.48 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 t -61.77 -43.47 98.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.79 -31.67 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 34' ' ' THR . 95.2 mt -68.17 -39.56 82.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.693 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.95 -47.8 79.83 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.343 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.051 178.424 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.9 ttm -61.7 -43.02 99.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 39.2 t -61.07 -42.54 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.341 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -61.61 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.243 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.8 mm -64.94 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.67 -36.34 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.665 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.2 mm-40 -64.4 -41.74 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.1 p -67.62 -25.2 65.63 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.555 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 52' ' ' ILE . 53.8 mtp -75.09 -50.85 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.235 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 57.9 t -60.41 -44.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -65.88 -27.09 67.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.797 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.7 m -76.45 -37.1 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.231 0.538 . . . . 0.0 110.135 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 48' ' ' MET . 62.9 mt -71.97 -29.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.317 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 12.5 mm100 -54.49 -41.37 69.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.149 0.499 . . . . 0.0 109.911 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -73.02 -38.26 66.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.532 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.14 -42.59 91.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.563 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.895 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.12 26.48 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.721 0.772 . . . . 0.0 108.943 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.63 -13.35 54.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.799 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.39 41.32 96.56 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 23.9 8.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.086 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.9 58.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.559 0.695 . . . . 0.0 110.726 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.9 t -80.76 146.95 61.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.692 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.2 -24.59 11.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.167 2.578 . . . . 0.0 113.041 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 t-20 -68.68 -24.29 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.935 0.397 . . . . 0.0 111.389 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.2 mptt -81.77 -33.96 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 7.0 mp -77.7 -27.26 50.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.07 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -66.13 -33.4 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.371 0.605 . . . . 0.0 109.878 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.74 63.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.116 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.6 mt -74.14 -3.45 29.77 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.962 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -88.81 -61.09 1.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.0 mtm -62.52 -50.27 72.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.605 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.97 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.336 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -59.99 -44.28 94.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.209 0.528 . . . . 0.0 109.837 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.388 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.9 p -71.14 -36.81 72.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.9 m -63.52 -38.09 89.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.851 0.357 . . . . 0.0 110.938 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -71.4 -32.88 68.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.852 0.358 . . . . 0.0 110.19 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.56 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.016 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 75' ' ' SER . 43.6 mt-10 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.586 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.24 -44.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.77 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.29 67.85 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.328 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.274 0 O-C-N 123.612 0.57 . . . . 0.0 111.621 177.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' THR . 56.9 tp -56.31 -38.18 70.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.656 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 p -56.33 -35.44 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.871 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 m -82.76 -37.15 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.445 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 43.8 mttt -59.57 -56.96 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.879 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.5 t -57.68 -39.39 77.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 111.836 -173.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.7 m -68.11 -34.26 76.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.906 0.384 . . . . 0.0 110.957 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.598 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 66.2 m -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.6 HG22 ' SD ' ' A' ' 101' ' ' MET . 69.6 mt -58.71 -50.21 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 0.0 110.013 176.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -60.7 -40.05 90.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.635 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -63.27 -39.45 94.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 0.0 110.043 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.73 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.652 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.6 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.5 mtp -63.63 -46.44 85.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.112 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -58.69 -49.71 76.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.338 0.59 . . . . 0.0 110.047 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.1 t30 -61.22 -41.78 97.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.507 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.38 93.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.5 -31.06 69.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.535 0.684 . . . . 0.0 109.382 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.63 -24.9 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.046 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.8 mm-40 -96.49 -15.87 21.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.559 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -93.14 -58.97 2.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.982 0.42 . . . . 0.0 111.481 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -109.72 -11.66 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.28 61.96 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.074 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.07 157.1 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.18 126.1 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.512 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 20.7 t-20 -107.49 123.79 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.488 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 28.3 tp60 -82.24 -56.96 0.51 Allowed Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.512 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 25.3 Cg_exo -61.1 -30.89 90.01 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.185 1.923 . . . . 0.0 113.995 -167.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -68.14 -30.13 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 0.0 110.069 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.55 -33.05 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.995 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.05 -46.44 84.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.382 176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.444 ' O ' HD13 ' A' ' 123' ' ' LEU . 47.5 mt-10 -58.95 -52.45 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.045 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -54.49 -53.59 29.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.627 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 4.6 p -59.33 -44.79 92.59 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -173.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -64.86 -32.72 74.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.996 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -77.94 -37.34 47.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.316 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.7 t -52.67 -61.74 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.78 0.8 . . . . 0.0 110.026 175.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 75.4 m -57.88 -37.19 73.51 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.858 -177.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -72.51 -50.47 25.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.398 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -69.35 -24.97 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.71 0.291 . . . . 0.0 111.5 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.476 0.655 . . . . 0.0 110.888 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 125' ' ' SER . 76.6 mm-40 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.037 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.444 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 20.3 Cg_endo -61.41 -17.67 54.79 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.839 2.359 . . . . 0.0 112.314 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -89.85 3.95 51.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.947 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -71.74 -27.18 62.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.036 0.445 . . . . 0.0 110.669 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.445 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 9.4 t30 -137.26 129.69 16.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.934 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 10.7 Cg_endo -59.53 -30.33 92.18 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 123.254 2.636 . . . . 0.0 111.825 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.98 94.27 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 tp -70.86 -39.09 73.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.686 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.34 -52.09 66.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.425 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.47 -46.56 88.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.653 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.532 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.2 m-20 -56.74 -44.22 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HA ' HG21 ' A' ' 108' ' ' THR . 50.8 t80 -59.92 -48.46 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.686 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 14.1 mmm -68.0 -39.06 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.294 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -59.93 -47.47 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.9 t -68.19 -29.47 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.569 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.8 t80 -59.03 -49.6 77.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.0 mmm -63.95 -36.34 83.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.768 -176.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.18 -31.24 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.42 -25.43 30.75 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.019 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.533 0.206 . . . . 0.0 111.243 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -67.83 -13.99 62.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.249 0.547 . . . . 0.0 110.986 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -93.83 0.5 56.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.998 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.439 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 20.5 mmt -100.54 120.93 54.74 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.671 -176.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.21 2.18 7.02 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.11 2.54 . . . . 0.0 113.05 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.43 -18.57 73.47 Favored Glycine 0 C--N 1.309 -0.948 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.575 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -126.98 175.26 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.093 0.473 . . . . 0.0 111.067 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.462 HG22 ' HG3' ' A' ' 37' ' ' GLN . 7.2 t -125.89 168.73 13.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.604 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.508 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.47 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 34' ' ' THR . 3.5 mm-40 -60.27 -41.1 92.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.372 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -37.86 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -50.13 73.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.239 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.9 m-20 -64.77 -46.15 83.35 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.459 ' SD ' ' HE2' ' A' ' 23' ' ' PHE . 46.6 ttm -58.83 -44.12 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.611 -175.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 8.2 t -61.27 -45.36 94.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.971 0.415 . . . . 0.0 110.084 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.7 m -65.87 -43.22 88.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.344 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 40' ' ' ASP . 50.9 mm -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.25 0.547 . . . . 0.0 110.137 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 48' ' ' MET . . . -57.7 -39.71 77.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.731 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 42' ' ' SER . 13.3 mm-40 -68.62 -25.06 64.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.721 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -64.09 -43.75 94.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.594 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.7 ppp? -75.93 -26.74 57.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.844 0.354 . . . . 0.0 110.132 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 45' ' ' ALA . 80.9 t -65.79 -42.35 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.438 . . . . 0.0 110.379 174.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 13.9 mm100 -68.73 -16.12 63.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -75.36 -42.69 53.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.76 -29.61 47.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CG ' ' HA ' ' A' ' 50' ' ' GLN . 82.6 mm-40 -49.18 -51.19 34.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 176.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -79.09 -36.48 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.7 -52.26 65.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.629 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.54 -11.64 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.213 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.88 -29.92 13.43 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.087 0.47 . . . . 0.0 109.862 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -89.96 -11.65 41.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 37.87 40.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.614 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -108.86 12.77 25.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -69.64 95.16 0.84 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.766 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -108.52 150.88 41.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.279 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.0 -40.67 58.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.124 2.549 . . . . 0.0 112.496 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -55.77 -43.33 76.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 32.1 mttt -70.21 -41.48 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.506 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.68 -36.67 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 1.2 tm0? -64.22 -34.3 77.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.503 . . . . 0.0 110.09 175.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -72.56 -45.85 57.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.63 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.9 mt -58.2 -32.2 68.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.2 t-20 -53.69 -53.27 54.38 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.526 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 71.9 mtm -74.6 -41.54 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.201 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 7.3 mmm180 -61.87 -41.75 98.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.586 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -58.5 -52.29 66.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.171 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.82 72.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.357 . . . . 0.0 111.666 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.9 p -73.15 -20.74 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 86.7 p -68.79 -41.72 78.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.061 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -71.12 -30.68 66.81 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.74 95.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.218 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -53.15 -43.38 66.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.334 0.588 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 82.1 mt -78.7 -46.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.256 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.9 -21.57 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 179.402 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.282 0.563 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.4 tp -99.47 -36.55 9.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.995 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -67.63 -30.82 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -66.96 -30.1 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.208 0.527 . . . . 0.0 110.082 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 97' ' ' ILE . 52.1 mttp -73.14 -50.07 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.34 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.504 HG21 ' OG ' ' A' ' 125' ' ' SER . 20.2 p -62.12 -36.93 83.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.55 -177.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 m -67.2 -42.39 84.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.28 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' A' ' 30' ' ' MET . 8.0 p -72.46 -34.28 67.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.175 -176.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 101' ' ' MET . 73.3 mt -55.52 -49.74 71.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.553 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -67.97 -42.75 80.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.14 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 97' ' ' ILE . 3.4 ttp -67.69 -42.76 81.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.316 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -61.99 -46.65 88.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.307 0.575 . . . . 0.0 109.924 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.588 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.9 t30 -58.98 -38.81 79.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.944 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.58 -26.97 66.54 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.468 0.652 . . . . 0.0 109.494 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 37.4 mt -69.36 -28.98 66.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.623 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.6 mm-40 -92.72 -12.91 30.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 111.191 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 18' ' ' ASN . 10.5 p -99.68 -39.43 8.27 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -143.28 3.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.616 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.66 71.54 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.487 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -131.29 157.27 43.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -113.67 107.19 22.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.035 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.9 t-20 -87.3 81.02 8.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.404 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.2 tp60 -59.67 -47.05 98.45 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.212 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.3 Cg_exo -45.16 -51.04 8.2 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.671 2.247 . . . . 0.0 113.678 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.01 -35.82 72.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.717 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 113' ' ' ASN . 17.5 mt -62.95 -35.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.2 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.615 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 78.2 m-20 -62.68 -47.2 84.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.388 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.7 mt-10 -62.71 -53.99 46.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.809 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.54 -49.06 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.012 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.5 p -59.62 -38.18 80.62 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -66.74 -39.31 87.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 109.942 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 79.8 mt -70.41 -37.87 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.998 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 120' ' ' ILE . 47.9 t -52.46 -61.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.045 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.504 ' OG ' HG21 ' A' ' 94' ' ' THR . 29.0 m -54.07 -45.66 71.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.07 -51.59 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -66.3 -32.6 74.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.82 63.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.771 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.383 -179.178 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.4 -14.94 42.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 121.628 1.552 . . . . 0.0 111.726 174.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -102.69 10.98 38.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -60.09 -40.19 88.72 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.219 0.533 . . . . 0.0 111.402 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -132.49 143.66 49.72 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.748 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -57.42 -43.27 53.23 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.127 2.551 . . . . 0.0 112.133 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.8 93.52 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.877 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -57.9 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.48 -46.87 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.049 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 42.6 tt0 -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -77.33 -28.99 53.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -62.44 -58.68 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.616 ' HE1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -73.86 -21.31 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.896 -177.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -59.94 -58.51 8.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 172.404 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 p -66.97 -30.54 70.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.517 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.556 ' HB3' ' HA ' ' A' ' 20' ' ' MET . 67.8 t80 -54.45 -52.13 62.81 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.307 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.064 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.01 -33.33 75.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.582 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -85.73 -35.21 11.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.029 175.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -61.51 -37.07 82.36 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.233 0.613 . . . . 0.0 110.192 -179.113 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 38' ' ' LEU . 5.6 p -71.66 -12.59 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -100.62 -0.27 37.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.048 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.6 mmt -92.94 133.2 29.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.908 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -70.29 115.47 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.397 2.065 . . . . 0.0 111.757 174.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.85 -53.51 0.49 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.991 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 54.0 m-85 -83.78 131.84 34.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.372 0.606 . . . . 0.0 112.32 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -84.53 158.6 20.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.569 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.38 70.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.707 0.289 . . . . 0.0 111.528 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -66.11 -35.16 79.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -42.45 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 109.614 175.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 28' ' ' SER . 8.6 tp -57.25 -42.88 82.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.11 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.77 -43.82 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.332 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -68.74 -44.58 73.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.759 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -58.75 -40.58 84.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.978 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.62 -36.59 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.416 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -76.59 -38.8 54.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.3 mm -64.55 -38.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.046 0.45 . . . . 0.0 110.228 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.5 -32.07 64.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.177 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -64.74 -32.62 74.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 m -64.84 -40.97 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.616 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 48.6 tpp -65.63 -45.34 83.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.249 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.7 t -55.56 -50.55 65.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.28 -36.93 78.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.535 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 39.0 m -64.91 -44.61 89.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.182 0.515 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.37 -34.67 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.162 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.19 -45.89 83.34 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -67.6 -37.86 83.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.97 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 51' ' ' SER . 64.4 mt -59.07 -45.25 91.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.755 0.312 . . . . 0.0 111.499 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.32 -23.7 43.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.914 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.95 -30.32 18.89 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.419 0.628 . . . . 0.0 109.479 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.548 ' HB3' HH11 ' A' ' 60' ' ' ARG . 98.8 mt-30 -94.94 -6.58 42.18 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.77 50.04 67.55 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.948 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.548 HH11 ' HB3' ' A' ' 58' ' ' GLN . 74.7 mtt85 -128.12 16.36 6.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 111.559 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -72.95 111.31 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.151 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 65' ' ' LYS . 7.8 m -128.66 153.24 79.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.826 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.63 -41.39 74.27 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.139 2.559 . . . . 0.0 113.015 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -65.45 -35.99 82.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.086 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 24.3 mttp -64.19 -46.45 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.195 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.9 mt -69.0 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.909 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.18 -32.18 68.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 68.7 mt -63.06 -31.86 73.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' A' ' 119' ' ' GLU . 31.9 t-20 -55.21 -58.65 6.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.91 -43.05 99.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.51 -45.24 94.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.2 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.54 -47.07 86.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 123' ' ' LEU . . . -62.06 -55.24 31.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.579 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 16.1 p -61.44 -42.11 98.25 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 p -62.24 -39.59 93.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.651 0.262 . . . . 0.0 111.145 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.7 mtm -71.22 -37.65 72.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 110.183 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.07 92.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.498 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 75' ' ' SER . 50.2 mt-10 -56.0 -44.86 79.03 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.026 0.441 . . . . 0.0 110.934 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -62.9 -49.86 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -28.24 69.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.585 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.232 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 24.2 t . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 121.035 0.445 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -35.59 80.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -174.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.6 m -52.19 -31.33 31.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.588 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.3 m -91.0 -33.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.031 0.443 . . . . 0.0 110.78 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.4 mtmm -75.9 -31.66 59.29 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -63.58 -24.88 67.99 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.321 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -87.71 -38.11 16.11 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.766 0.317 . . . . 0.0 111.312 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -64.5 -32.7 74.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.703 -176.409 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.522 HG22 ' SD ' ' A' ' 101' ' ' MET . 71.8 mt -59.05 -52.79 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.476 176.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.04 72.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.554 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -71.29 -40.31 70.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.46 74.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.768 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.522 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.3 mtp -63.87 -41.73 97.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.0 m -61.14 -44.85 96.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.479 0.656 . . . . 0.0 110.024 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.654 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -68.21 -35.01 77.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.704 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.95 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 3.4 t80 -65.83 -30.96 71.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 109.463 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.51 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 9.7 tp -63.63 -22.74 67.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.131 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 58.2 mm-40 -96.89 -28.2 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.687 0.279 . . . . 0.0 111.375 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 p -81.63 -54.15 5.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.015 0.436 . . . . 0.0 111.678 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -115.46 -7.88 12.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 80.59 15.26 78.41 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.758 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.6 t -128.41 155.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.1 114.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.445 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 18.1 t-20 -90.12 90.34 8.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.638 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 22.2 tp60 -65.48 -45.61 68.85 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.491 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.3 Cg_endo -44.82 -47.33 11.84 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.335 2.69 . . . . 0.0 113.843 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.417 ' HB2' ' OD1' ' A' ' 113' ' ' ASN . 7.3 t80 -71.95 -33.95 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 110.457 -173.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.18 -35.06 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 7.8 m120 -61.89 -31.37 71.66 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.425 ' O ' HD22 ' A' ' 123' ' ' LEU . 45.9 mt-10 -75.95 -54.06 7.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -177.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.9 -45.64 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -57.03 -33.51 67.27 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 12.2 mm100 -67.96 -45.55 73.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 74' ' ' ALA . 1.3 mm? -72.04 -30.17 64.91 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.706 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.3 t -60.29 -55.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.182 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.1 t -58.17 -39.38 78.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.527 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.9 mtp -66.05 -66.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.916 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 42.7 m-85 -67.11 -27.23 67.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.246 -170.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.1 -58.62 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.153 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.259 -177.518 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 14.5 Cg_endo -56.27 -23.57 46.54 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.293 2.662 . . . . 0.0 113.676 -176.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.466 ' HB2' HD22 ' A' ' 66' ' ' LEU . 6.8 m95 -94.88 14.97 19.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.354 -0.216 . . . . 0.0 111.404 -173.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -69.92 -44.02 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 111.665 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -130.84 144.46 53.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.573 0.225 . . . . 0.0 110.869 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 56' ' ' ALA . 51.8 Cg_exo -57.3 -35.46 98.88 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.033 2.489 . . . . 0.0 111.475 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.95 8.76 13.91 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.39 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.93 -57.76 1.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -44.34 -55.47 4.93 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.53 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' HG11 ' A' ' 49' ' ' VAL . 10.0 tp10 -68.21 -44.68 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.221 -175.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.16 -36.23 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.752 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -57.54 -46.51 83.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 24.5 mmt -64.79 -38.89 92.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.093 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.604 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 11.6 m-80 -62.49 -53.12 59.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -65.5 -33.08 75.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.847 0.355 . . . . 0.0 110.784 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 20' ' ' MET . 53.0 t80 -55.13 -55.63 28.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.398 174.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.05 -31.06 70.45 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.523 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.604 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.7 mt-30 -60.98 -41.78 97.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.241 0.543 . . . . 0.0 110.149 175.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.74 -40.4 26.58 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.842 177.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.74 -38.98 93.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.494 0.188 . . . . 0.0 111.459 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 p -67.44 -12.88 61.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 m -100.31 -0.36 38.58 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.373 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 19.6 mmt -94.85 127.27 43.85 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.69 120.69 7.07 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.248 1.965 . . . . 0.0 111.585 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.19 -31.74 0.72 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.642 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -102.39 -169.14 1.63 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 38' ' ' LEU . 15.3 t -148.05 169.23 20.4 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -38.85 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -63.16 -43.39 98.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.241 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 80' ' ' ILE . 2.3 mp0 -66.82 -42.17 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 34' ' ' THR . 7.3 mp -58.99 -44.7 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.755 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.08 -52.82 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.538 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.563 ' O ' HG12 ' A' ' 44' ' ' ILE . 18.4 m-20 -66.32 -46.48 76.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.699 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 77' ' ' MET . 52.6 tpp -58.24 -41.41 84.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.988 0.423 . . . . 0.0 110.95 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.1 t -67.34 -38.94 85.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.196 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.4 m -69.72 -41.19 75.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.961 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 40' ' ' ASP . 48.8 mm -63.7 -31.4 52.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.454 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.06 -64.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.431 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 2.5 mp0 -51.4 -36.77 44.98 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.657 174.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.28 -40.28 93.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.591 0.234 . . . . 0.0 111.187 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 3.9 ppp? -80.72 -29.49 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 45' ' ' ALA . 83.3 t -67.5 -26.19 35.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.724 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 79.2 mm-40 -58.39 -36.2 73.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.354 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 p -78.92 -22.55 45.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 49' ' ' VAL . 11.5 mm -68.15 -40.42 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -50.12 -48.9 53.28 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 m -73.64 -36.24 65.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.931 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.02 -48.73 79.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.65 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . . . -82.71 -6.15 59.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.584 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.97 -33.59 14.79 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -80.64 -24.09 39.25 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 43.5 28.58 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.573 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 97.3 mtt180 -118.0 11.41 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.718 0.294 . . . . 0.0 111.762 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 p -69.49 105.34 2.59 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.249 0.547 . . . . 0.0 111.499 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.583 ' OG ' ' HG3' ' A' ' 65' ' ' LYS . 37.6 p -121.86 156.12 59.64 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.041 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 47.1 Cg_exo -56.53 -33.35 92.52 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.377 2.051 . . . . 0.0 111.657 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -61.86 -47.23 85.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.189 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.583 ' HG3' ' OG ' ' A' ' 62' ' ' SER . 32.2 mttm -65.03 -52.13 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.213 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 62' ' ' SER . 39.8 mt -65.45 -25.8 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER -53.93 -44.11 70.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.267 175.198 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.168 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.16 -28.98 69.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.63 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.293 0.568 . . . . 0.0 110.682 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.2 mtm -69.49 -40.87 76.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -56.33 -46.28 79.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.599 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.97 -46.27 89.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' A' ' 120' ' ' ILE . . . -63.47 -48.07 79.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.057 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 13.5 p -73.21 -35.17 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.431 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 12.1 p -63.52 -39.62 94.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.429 ' HG2' ' SD ' ' A' ' 41' ' ' MET . 69.8 mtm -66.19 -37.89 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.184 175.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.32 89.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.599 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.5 mt-10 -58.79 -37.79 77.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.279 0.562 . . . . 0.0 110.551 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 37' ' ' GLN . 94.0 mt -80.52 -45.9 21.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.86 -14.0 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.961 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.006 0.432 . . . . 0.0 111.209 179.277 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 121.04 0.448 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 93' ' ' LYS . 2.8 tm? -65.34 -34.38 78.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -54.89 -33.84 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.217 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -76.43 -44.17 36.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.003 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HB2' HD22 ' A' ' 90' ' ' LEU . 58.2 mttp -61.42 -53.95 49.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.087 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.8 t -58.59 -38.63 78.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.8 m -66.5 -34.44 77.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.123 0.487 . . . . 0.0 110.55 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 51.0 m -67.14 -40.96 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.696 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.576 HG22 ' SD ' ' A' ' 101' ' ' MET . 70.6 mt -58.3 -49.49 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.08 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.933 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -71.26 -35.37 71.37 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.54 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.578 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.576 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.2 mtp -68.22 -44.77 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.78 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -60.49 -47.6 85.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.883 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.6 t30 -61.28 -34.09 74.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.278 177.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.5 -47.43 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.525 0.202 . . . . 0.0 111.451 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.15 -37.41 77.21 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.282 0.563 . . . . 0.0 110.202 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.68 -27.34 67.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.337 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -93.79 -32.98 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.125 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -85.56 -39.36 17.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.646 -173.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.9 p -116.61 -32.3 5.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.54 -6.61 68.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.0 t -122.24 148.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.15 105.22 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.707 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -81.08 94.07 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.394 0.616 . . . . 0.0 109.555 177.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -75.36 -47.99 4.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -44.74 -48.8 10.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.781 2.321 . . . . 0.0 114.163 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.479 ' O ' HD13 ' A' ' 120' ' ' ILE . 90.8 m-85 -71.99 -26.51 62.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.871 -174.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 mt -67.68 -35.16 71.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.022 0.439 . . . . 0.0 110.398 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.18 -30.96 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.77 -52.05 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.817 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -58.97 -49.09 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -54.32 -48.44 71.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.19 -37.09 85.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.42 -42.8 67.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.585 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.4 t -55.59 -55.97 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.671 0.272 . . . . 0.0 110.764 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 t -57.96 -46.11 85.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.778 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.08 -52.37 49.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.545 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.436 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 25.1 m-85 -67.47 -31.0 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.585 -176.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.13 32.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.738 0.304 . . . . 0.0 111.007 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.333 -179.572 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.3 m . . . . . 0 C--O 1.225 -0.2 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 12.3 Cg_endo -55.28 -26.08 50.36 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 122.715 2.277 . . . . 0.0 113.44 -175.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.451 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 5.8 m95 -111.29 17.11 20.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.448 -174.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 8' ' ' THR . 4.6 t -77.22 -30.08 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.971 0.415 . . . . 0.0 111.331 -174.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -131.72 138.47 32.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.641 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 60.0 Cg_exo -53.65 -49.65 16.52 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.009 2.473 . . . . 0.0 111.705 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.07 74.29 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.658 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -71.24 -46.47 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.58 94.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 110.036 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.63 -50.51 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.766 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.523 ' HB3' HG22 ' A' ' 108' ' ' THR . 19.4 m-80 -70.18 -35.94 74.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.28 -51.94 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.62 -38.34 90.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.169 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.05 -60.65 2.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 174.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -66.5 -33.46 75.74 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.249 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 86.6 t80 -60.42 -53.7 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.752 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.498 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 2.2 mmt -66.83 -41.21 87.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.191 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.35 -29.99 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.335 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -84.17 -38.92 9.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.049 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.88 -35.64 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.962 0.505 . . . . 0.0 110.926 -177.112 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -65.97 -19.33 65.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.016 0.436 . . . . 0.0 111.621 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -99.9 3.68 44.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.384 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.1 mmt -98.12 136.92 20.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.781 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.61 141.41 31.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.359 2.039 . . . . 0.0 111.635 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.5 -28.65 3.1 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.809 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.57 -168.88 1.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.037 0.446 . . . . 0.0 111.689 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.591 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 14.7 t -152.4 175.07 13.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.133 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.02 77.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.553 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t -62.96 -40.59 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.468 . . . . 0.0 110.388 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.8 mp0 -75.22 -34.19 61.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 34' ' ' THR . 85.8 mt -66.79 -34.75 78.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 110.304 177.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.55 -39.86 94.98 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.61 -44.56 70.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.471 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 25.9 mmt -47.43 -52.63 16.38 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.266 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 56.5 m -60.97 -37.52 82.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.9 m -68.78 -42.72 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.918 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.5 mm -63.86 -40.82 90.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.46 -44.73 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.12 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.7 mm-40 -60.85 -41.0 94.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 t -60.77 -44.1 97.2 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.592 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -85.15 -30.4 24.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.902 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 40.8 t -65.79 -41.49 90.34 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.595 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -60.51 -32.88 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.858 0.361 . . . . 0.0 111.072 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.3 m -65.94 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.347 0.594 . . . . 0.0 109.857 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.61 -35.88 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.864 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.8 mm100 -55.83 -46.13 78.21 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.137 0.494 . . . . 0.0 109.722 174.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -68.52 -43.44 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.18 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 51' ' ' SER . 65.5 mt -51.58 -53.72 35.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.06 9.05 13.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.43 -33.88 6.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.89 -32.35 23.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.391 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.74 38.76 5.43 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -120.48 22.26 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.202 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -78.44 76.06 4.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.456 0.646 . . . . 0.0 110.359 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -101.26 147.08 33.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.349 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.53 -29.77 33.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.893 2.395 . . . . 0.0 112.438 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.28 -39.77 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.743 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.56 -49.92 60.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.48 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -64.51 -25.09 67.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.727 -174.439 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.0 tt0 -63.19 -34.05 76.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.209 0.528 . . . . 0.0 110.283 173.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -43.39 59.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.448 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.42 -36.75 71.76 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.444 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.4 t-20 -53.11 -52.64 58.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 0.0 110.855 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -68.57 -50.85 48.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.139 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.81 -41.45 91.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.768 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -59.37 -41.95 90.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.259 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.41 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.935 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 24.2 p -72.11 -33.91 68.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 p -67.77 -47.48 69.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.595 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.447 ' SD ' HD13 ' A' ' 97' ' ' ILE . 22.2 ptp -64.6 -25.88 68.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -69.25 -38.36 78.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 75' ' ' SER . 45.8 mt-10 -63.6 -40.57 97.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.318 0.58 . . . . 0.0 110.061 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 37' ' ' GLN . 46.6 mt -68.6 -39.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.55 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.7 -22.98 63.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.166 0.507 . . . . 0.0 110.589 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 176.633 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.365 0.603 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.7 tp -74.71 -28.84 60.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.494 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.5 m -67.07 -34.8 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -70.76 -41.37 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.236 0.541 . . . . 0.0 109.952 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -63.17 -45.49 91.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.8 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -63.47 -41.51 98.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.911 0.386 . . . . 0.0 111.542 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -71.86 -30.43 65.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 t -60.97 -55.39 33.49 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.026 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.447 HD13 ' SD ' ' A' ' 77' ' ' MET . 86.0 mt -59.14 -44.41 91.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.781 -176.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.68 -21.3 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -81.81 -34.49 30.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.53 47.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.786 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.594 ' SD ' HG12 ' A' ' 117' ' ' ILE . 24.5 ttm -60.67 -50.32 73.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.521 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.425 ' O ' HD13 ' A' ' 106' ' ' LEU . 5.4 p -59.57 -47.26 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -62.06 -34.61 76.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.557 0.217 . . . . 0.0 111.14 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 44.3 m-85 -59.0 -40.67 85.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.511 0.672 . . . . 0.0 110.079 173.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 102' ' ' SER . 7.5 mp -65.86 -30.29 70.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.244 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 28.5 mm-40 -78.6 -22.92 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.636 0.255 . . . . 0.0 111.18 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.523 HG22 ' HB3' ' A' ' 18' ' ' ASN . 7.4 p -103.08 -57.92 1.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.853 -172.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -106.04 -36.32 6.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 -172.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.57 -10.68 49.85 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.608 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 3.5 t -116.39 141.44 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.92 133.71 55.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.044 0.45 . . . . 0.0 111.03 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 117' ' ' ILE . 22.5 t-20 -96.44 103.82 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.967 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.621 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -74.66 -47.22 5.35 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.4 Cg_endo -46.51 -49.0 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.231 2.621 . . . . 0.0 114.233 -177.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.24 -35.34 76.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.617 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.594 HG12 ' SD ' ' A' ' 101' ' ' MET . 6.3 mt -63.52 -35.59 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.977 0.418 . . . . 0.0 110.341 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.73 -46.66 88.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.003 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 60.9 mt-10 -64.11 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.779 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -56.87 -54.16 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.456 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.0 p -58.73 -39.81 81.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -67.39 -40.46 85.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.761 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.7 mt -66.65 -39.52 88.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.363 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.0 t -56.99 -52.09 60.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 t -57.16 -38.69 73.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.159 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.4 ttp -79.03 -53.35 7.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.575 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.99 -29.93 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.59 98.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.022 0.439 . . . . 0.0 111.136 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -177.207 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.67 -19.76 67.9 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.904 2.402 . . . . 0.0 113.601 -174.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.436 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 5.8 m95 -97.89 17.03 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.325 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -75.99 -54.43 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.998 0.428 . . . . 0.0 111.264 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.78 135.43 22.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.58 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 51.5 Cg_exo -53.41 -43.04 60.88 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.968 2.445 . . . . 0.0 112.033 176.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.83 68.94 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.514 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.61 -44.09 24.78 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.493 -0.416 . . . . 0.0 110.03 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.61 84.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.834 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.29 -40.04 96.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.481 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.75 -37.66 70.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.864 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.369 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' HG2' ' A' ' 24' ' ' MET . 22.7 mmt -65.33 -40.31 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.471 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.557 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 14.1 m-20 -62.94 -48.44 78.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.763 0.316 . . . . 0.0 110.969 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -64.68 -33.43 75.93 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 83.9 t80 -57.22 -52.51 65.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.489 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 52.3 mmm -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.985 -177.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 90.2 mt-30 -60.28 -44.66 95.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.0 -36.73 51.28 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.04 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 -178.415 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -73.83 -4.49 35.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 111.456 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -99.02 2.79 46.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 110.302 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mmt -104.92 114.97 63.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.848 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.79 105.96 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.295 1.997 . . . . 0.0 112.461 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.61 -34.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.805 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 73.1 m-85 -98.72 150.83 21.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.485 HG22 ' NE2' ' A' ' 37' ' ' GLN . 15.4 t -97.12 171.6 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.753 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.34 84.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -61.9 -31.42 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.259 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.485 ' NE2' HG22 ' A' ' 34' ' ' THR . 1.1 mt-30 -77.79 -42.18 34.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.511 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 27' ' ' LEU . 93.2 mt -62.72 -37.68 87.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 178.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.78 -57.99 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.53 -44.39 97.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.96 -45.98 85.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.201 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.8 t -65.13 -42.82 93.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 110.362 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.6 m -62.75 -44.14 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.4 mm -65.95 -39.48 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.56 -39.54 73.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.285 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 42' ' ' SER . 22.6 mm-40 -68.22 -35.78 78.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.441 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 t -62.41 -41.93 99.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 109.785 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.5 mmm -57.44 -50.22 73.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.807 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 95.3 t -58.22 -48.51 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.315 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -58.46 -36.28 73.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -73.19 -37.79 66.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 109.967 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.37 -29.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -54.37 -45.7 72.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.924 0.393 . . . . 0.0 110.507 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -81.71 -26.94 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 tp -55.91 -48.97 74.7 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.885 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.82 8.98 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.572 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.57 -34.54 9.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -91.03 -4.67 56.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.387 175.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 44.99 90.17 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.386 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -115.02 9.25 15.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -64.11 105.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.538 0.685 . . . . 0.0 110.384 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -138.46 150.78 67.53 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.248 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.11 -29.76 13.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.362 2.708 . . . . 0.0 113.215 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.91 -47.03 86.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.864 0.364 . . . . 0.0 110.975 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.3 mptt -65.13 -41.66 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 109.525 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 1.5 mp -66.53 -28.19 68.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.178 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -47.94 58.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 176.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.37 -33.95 73.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 85.2 mt -83.73 10.9 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -102.41 -54.1 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.402 ' HA ' ' CD2' ' A' ' 123' ' ' LEU . 41.7 mtm -63.06 -60.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.856 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.466 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -68.86 -25.4 64.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.284 -175.505 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.99 -50.92 68.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.19 89.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.427 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.7 p -70.4 -37.88 74.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.714 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.3 mtm -68.03 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -63.02 -44.74 95.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.289 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 75' ' ' SER . 37.0 mt-10 -63.49 -29.76 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.328 0.585 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.1 -44.56 65.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.001 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 177.79 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 94' ' ' THR . 1.8 tm? -55.69 -34.3 64.94 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.691 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -54.91 -38.79 68.07 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.228 0.537 . . . . 0.0 110.756 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -77.43 -40.79 42.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 55.3 mtpt -65.44 -49.07 70.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.302 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 90' ' ' LEU . 11.0 t -63.24 -30.33 71.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.417 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -82.1 -22.35 36.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 110.677 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 10.8 t -64.48 -49.6 70.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.87 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG22 ' SD ' ' A' ' 101' ' ' MET . 73.6 mt -53.41 -48.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.316 -177.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.03 88.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.8 m -71.58 -39.36 70.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.348 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.48 ' SD ' HG22 ' A' ' 97' ' ' ILE . 15.5 mtp -63.12 -46.92 85.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.979 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -56.92 -50.13 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.303 0.573 . . . . 0.0 110.027 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.2 t30 -62.57 -42.16 99.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.425 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.34 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.697 0.284 . . . . 0.0 111.727 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 4.8 t80 -65.38 -34.83 79.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.584 0.707 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 29.8 mt -63.89 -36.27 83.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.919 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -85.9 -6.24 59.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.724 -174.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 p -106.61 -52.38 2.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.017 0.437 . . . . 0.0 110.969 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.2 p -98.56 -32.21 11.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.456 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -5.67 69.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.421 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 15.7 t -117.14 157.06 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.0 127.86 71.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.971 0.415 . . . . 0.0 110.41 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -102.18 93.65 5.33 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.558 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.1 tp60 -70.95 -49.91 12.7 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.779 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 3.2 Cg_exo -41.16 -50.41 4.33 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.482 2.788 . . . . 0.0 113.4 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -68.44 -36.27 78.79 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.181 0.515 . . . . 0.0 109.991 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.8 mt -68.0 -42.24 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.1 m-20 -61.5 -33.71 74.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.09 -44.4 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.611 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -61.55 -45.76 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.9 p -59.01 -36.35 74.79 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 15.0 mm100 -59.48 -42.51 92.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.218 0.532 . . . . 0.0 110.462 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 10.4 mp -76.39 -40.1 51.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.814 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.3 t -56.76 -62.49 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.152 0.501 . . . . 0.0 110.892 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 -20.7 62.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.116 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.2 ttp -88.32 -53.31 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 22.2 m-85 -73.96 -20.64 60.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.675 -175.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.469 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . -65.5 -44.45 86.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.408 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 N--CA 1.445 -0.69 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.09 179.131 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.445 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' HG22 ' A' ' 8' ' ' THR . 30.5 Cg_endo -64.13 -20.0 66.78 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.817 2.345 . . . . 0.0 113.428 -177.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -91.63 7.24 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -70.89 -62.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.457 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.438 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.8 t30 -103.29 130.73 23.05 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 121.407 0.622 . . . . 0.0 109.88 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 13.8 Cg_endo -60.33 -31.57 92.98 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.234 2.622 . . . . 0.0 111.065 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.38 -33.28 77.04 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.727 175.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.52 -49.84 44.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.98 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -58.84 -53.17 61.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.676 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.99 -31.44 72.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.71 -52.29 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.95 -35.08 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 15.0 m-80 -63.63 -52.26 61.61 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.616 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -64.77 -33.03 75.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.009 0.433 . . . . 0.0 110.579 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.6 -48.76 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.681 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.6 mmt -76.25 -11.99 60.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.237 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 98.4 mt-30 -75.76 -31.22 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.143 0.497 . . . . 0.0 109.928 174.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.74 -39.8 5.15 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.276 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -58.61 -37.94 76.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.713 0.292 . . . . 0.0 110.931 -176.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -70.49 -11.32 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.311 . . . . 0.0 111.754 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m -100.19 -0.58 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.008 0.433 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -96.55 118.78 64.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.34 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.97 123.78 10.71 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.243 1.962 . . . . 0.0 111.606 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.78 -30.13 0.92 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -111.05 141.94 43.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.724 0.297 . . . . 0.0 110.678 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 t -89.3 164.49 14.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.48 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -65.55 -57.61 7.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.504 0.193 . . . . 0.0 110.594 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.02 -35.78 75.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.732 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 27' ' ' LEU . 11.5 tp -58.51 -49.36 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.162 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -62.51 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.6 m-20 -64.81 -43.84 91.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.518 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.0 ttm -61.37 -41.34 96.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.194 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 38.0 t -62.35 -40.67 97.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.067 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -65.44 -43.56 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.005 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.8 mm -66.46 -36.21 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.313 0.578 . . . . 0.0 110.033 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -58.55 -40.33 82.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.125 174.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.0 mm-40 -67.08 -34.11 76.94 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.006 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -61.71 -44.44 96.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.873 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.0 mmm -61.14 -47.79 84.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.7 t -57.09 -52.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.004 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.55 -33.85 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 21.2 t -67.0 -37.06 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.9 mt -77.34 -30.45 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.431 . . . . 0.0 110.438 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -85.5 -32.24 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.668 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' SER . 13.4 tp -59.42 -51.15 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.082 -177.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.96 0.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.774 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.08 -33.23 8.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.41 -25.72 33.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 14.65 63.54 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -84.62 81.44 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 0.0 111.574 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -132.58 156.44 46.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.983 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.507 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 t -172.95 144.11 1.17 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.68 -43.28 46.73 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.861 2.374 . . . . 0.0 112.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -74.11 -35.59 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.155 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HG2' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -74.23 -32.3 62.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.733 -177.786 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.6 mm? -69.65 -34.91 74.67 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.555 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.9 tt0 -65.61 -38.9 90.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.912 173.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.82 94.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.2 -32.05 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.397 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.555 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 16.3 t-20 -59.57 -57.07 14.53 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.007 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.6 mtm -64.35 -42.19 96.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.062 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -61.66 -44.05 97.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.31 -48.03 83.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.577 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.84 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.696 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 11.3 p -66.14 -35.62 80.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.888 -176.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.627 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 66.8 mtm -70.41 -34.68 72.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.25 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.7 -34.78 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.218 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 75' ' ' SER . 51.2 mt-10 -62.74 -39.95 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.443 0.64 . . . . 0.0 110.696 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.45 -40.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.531 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.17 -20.23 64.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.876 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 177.144 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.319 0.581 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.62 -29.36 24.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.741 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 t -60.8 -31.99 71.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.139 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.4 m -82.62 -27.89 31.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 0.0 111.063 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -71.92 -35.25 69.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.48 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.5 p -62.02 -48.59 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.228 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -69.46 -27.01 64.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.886 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 t -61.71 -53.63 53.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -42.48 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.4 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.56 92.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 p -69.96 -44.12 70.14 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.285 0.564 . . . . 0.0 110.29 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.71 90.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.908 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.686 ' SD ' HG12 ' A' ' 117' ' ' ILE . 20.4 ttm -63.51 -45.26 91.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 39.5 t -58.54 -39.63 80.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.037 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.8 t30 -68.14 -38.04 81.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.861 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.87 68.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.917 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 3.3 t80 -66.54 -28.74 68.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 0.0 109.484 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 102' ' ' SER . 11.5 tp -62.01 -25.49 67.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.792 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 57.8 mm-40 -94.34 -16.83 23.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 p -97.6 -34.73 10.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.7 p -121.24 -38.21 2.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.127 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.56 -11.08 39.02 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.467 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 20.1 t -121.05 158.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.36 132.32 56.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.659 0.266 . . . . 0.0 110.883 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.05 104.07 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 109.853 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.542 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.3 tp60 -67.54 -54.97 15.85 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.568 -176.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -52.92 -40.79 74.63 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.865 2.377 . . . . 0.0 114.668 -170.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.2 -37.59 72.11 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.507 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.686 HG12 ' SD ' ' A' ' 101' ' ' MET . 4.8 mt -63.9 -37.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.422 . . . . 0.0 109.92 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.587 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 5.9 m-20 -55.02 -50.07 69.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.614 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 41.8 mt-10 -68.36 -52.17 36.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.615 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.68 -48.77 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.8 p -58.7 -43.71 90.12 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.4 mm-40 -63.81 -38.36 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 110.387 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 55.1 mt -74.63 -31.68 62.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.821 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.7 t -62.52 -50.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.437 . . . . 0.0 110.005 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -63.89 -22.49 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.541 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.1 ttm -88.22 -64.74 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.607 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.67 -16.82 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.792 -170.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.09 76.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.276 0.56 . . . . 0.0 110.484 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -178.169 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.7 m . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.5 Cg_endo -56.54 -16.08 17.62 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.769 2.313 . . . . 0.0 113.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -95.39 12.79 27.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.192 -175.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -71.34 -72.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.95 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 133.4 26.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.418 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.81 -46.48 31.86 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.988 2.459 . . . . 0.0 112.47 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.89 94.71 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.15 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.56 -61.02 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.99 68.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.355 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.37 -45.5 87.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.729 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.05 -31.6 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.523 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.02 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.013 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.499 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.3 OUTLIER -59.81 -37.94 80.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.423 176.573 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.2 m-20 -60.04 -53.2 60.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.164 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -69.04 -26.64 65.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.211 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 64.5 t80 -59.54 -56.21 24.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.531 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 64.0 mmm -64.03 -33.16 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.863 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.1 mt-30 -58.42 -40.34 82.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.398 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.08 -32.05 13.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -64.97 -36.43 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' HD21 ' A' ' 38' ' ' LEU . 13.7 p -67.78 -11.53 58.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 0.0 111.423 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 m -97.31 -4.59 38.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.662 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.439 ' HE1' ' HB3' ' A' ' 99' ' ' SER . 53.9 mtt -94.98 129.79 34.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-O 121.074 0.464 . . . . 0.0 111.466 -174.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.96 126.2 9.19 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.644 2.229 . . . . 0.0 111.888 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.48 -57.83 0.41 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.633 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 98.7 m-85 -87.71 148.11 24.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.626 HG22 ' HG2' ' A' ' 37' ' ' GLN . 7.8 t -94.67 168.5 10.8 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.79 65.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.256 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -60.81 -41.68 96.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 34' ' ' THR . 7.0 mm100 -69.64 -34.93 74.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.407 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 28' ' ' SER . 9.8 mp -63.2 -41.28 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.5 -45.76 89.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.978 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.1 m-20 -67.16 -44.55 79.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -63.61 -41.26 98.32 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.1 t -61.08 -41.84 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 m -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.95 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.6 mm -66.22 -38.61 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.051 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.76 -38.29 75.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.421 176.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 42' ' ' SER . 28.6 mm-40 -63.42 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.443 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 t -65.68 -40.97 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.085 0.469 . . . . 0.0 109.736 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.1 mmm -59.85 -49.4 77.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.471 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.44 -47.68 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.958 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -63.8 -31.49 72.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.608 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -66.89 -46.13 75.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 109.801 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.04 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.656 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.4 mm-40 -53.88 -45.96 71.21 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 110.058 174.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -65.91 -47.74 73.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.8 mt -57.66 -38.03 74.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.4 60.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.705 0.288 . . . . 0.0 111.645 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.7 -31.85 19.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -80.26 -15.32 57.22 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.811 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.35 45.24 48.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.973 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -124.85 14.69 8.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.77 0.319 . . . . 0.0 111.337 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.9 121.45 22.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.008 0.433 . . . . 0.0 110.758 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.5 t -153.05 152.76 28.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.757 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' OG ' ' A' ' 62' ' ' SER . 10.6 Cg_endo -54.61 -41.6 75.96 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.701 2.268 . . . . 0.0 112.479 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -78.14 -6.02 53.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.22 0.533 . . . . 0.0 110.837 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 62' ' ' SER . 2.6 tpmt? -89.99 -49.68 6.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.301 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 62' ' ' SER . 55.6 mt -68.1 -27.63 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.75 -174.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -56.77 -33.36 66.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.889 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.49 -39.15 74.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.678 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.09 -30.78 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -56.94 -55.88 28.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.045 0.45 . . . . 0.0 110.153 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.49 -44.0 97.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.288 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.23 -46.5 88.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.101 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -57.95 -48.33 80.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.03 71.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.779 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -71.03 -27.77 63.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.1 m -68.06 -41.61 81.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 0.0 110.425 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -73.4 -26.98 61.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.104 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.442 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -60.02 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.389 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.27 -26.38 67.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.301 0.572 . . . . 0.0 110.533 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.98 -42.04 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.86 -19.98 65.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.592 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.912 174.474 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.437 ' O ' HG22 ' A' ' 94' ' ' THR . 64.4 tp -54.58 -40.7 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.532 175.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -52.53 -39.85 61.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.733 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -80.02 -38.84 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.253 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 36.9 mtmm -82.2 -39.84 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -170.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 90' ' ' LEU . 13.4 t -65.5 -32.05 73.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.966 -0.459 . . . . 0.0 111.544 -174.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 m -78.5 -27.94 46.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 110.816 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.4 t -58.89 -45.75 89.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.305 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.618 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -57.03 -46.07 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -63.5 -35.13 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.474 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.439 ' HB3' ' HE1' ' A' ' 30' ' ' MET . 32.9 t -68.47 -39.98 81.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -36.96 79.37 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.736 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.618 ' SD ' HG22 ' A' ' 97' ' ' ILE . 30.5 mtp -66.22 -47.14 74.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.512 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 t -59.41 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.144 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.629 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.1 t30 -56.8 -39.39 74.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.359 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.07 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.566 0.222 . . . . 0.0 111.081 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 26.4 m-85 -60.21 -38.34 83.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 102' ' ' SER . 60.6 mt -63.01 -28.03 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.944 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.4 mm-40 -90.81 -31.6 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.322 . . . . 0.0 111.026 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 p -89.88 -39.1 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -173.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.4 p -120.66 -37.09 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.67 -3.84 61.24 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.539 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.2 t -120.46 147.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.76 111.6 24.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 0.0 110.271 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.451 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.0 t-20 -80.87 75.46 7.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.56 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.8 tp60 -58.5 -49.18 94.91 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.865 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.1 Cg_endo -50.95 -42.89 50.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.519 2.146 . . . . 0.0 113.17 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.429 ' O ' HD13 ' A' ' 120' ' ' ILE . 66.8 m-85 -89.08 8.99 27.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.714 -177.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' ASN . 15.8 mt -103.36 -40.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 0.0 110.107 173.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 93.3 m-20 -56.51 -43.24 79.55 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.984 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 123' ' ' LEU . 31.2 mt-10 -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.35 -174.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.8 mp -61.52 -52.67 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.703 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -59.76 -43.17 94.43 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.627 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.8 mm-40 -61.6 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.513 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -75.02 -38.84 61.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.644 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 120' ' ' ILE . 72.4 t -57.24 -56.49 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.671 0.272 . . . . 0.0 110.351 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -59.71 -36.26 76.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.876 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -73.38 -53.68 10.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.421 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.34 -26.03 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.442 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . -63.57 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.24 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.199 -176.38 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.4 m . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 34.2 Cg_endo -65.73 -11.07 29.05 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.018 2.479 . . . . 0.0 113.961 -175.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -105.38 12.99 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.427 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -72.82 -46.77 51.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.005 0.431 . . . . 0.0 111.583 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -126.46 139.71 35.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.605 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.61 -41.61 67.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.975 2.45 . . . . 0.0 112.468 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.16 92.14 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.082 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 52.2 tp -62.52 -40.63 97.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.01 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.943 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 18' ' ' ASN . 1.5 pt-20 -66.34 -38.49 87.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.125 -177.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.502 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 40.2 m-80 -71.28 -32.79 69.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.737 0.303 . . . . 0.0 110.701 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.06 -50.98 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.18 -40.16 96.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.82 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -53.3 -60.68 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 176.296 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -67.03 -27.01 67.05 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.088 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.7 t80 -58.65 -48.42 81.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.118 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.494 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 0.7 OUTLIER -68.0 -37.5 81.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.902 -179.339 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 13.9 mm100 -56.61 -37.26 70.43 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.537 0.523 . . . . 0.0 110.987 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -31.38 12.44 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.297 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.87 -32.57 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.269 . . . . 0.0 110.738 -177.232 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -71.25 -15.53 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -92.53 -3.47 55.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.063 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -91.24 128.13 48.47 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.65 -0.95 11.0 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 122.86 2.374 . . . . 0.0 112.116 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.14 -26.2 66.94 Favored Glycine 0 C--N 1.312 -0.761 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.909 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -130.49 153.7 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 0.0 111.041 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 11.7 t -100.18 172.68 7.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.918 178.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.68 79.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 t -63.63 -35.78 81.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.607 . . . . 0.0 110.305 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 41' ' ' MET . 63.4 mt-30 -77.21 -29.25 54.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.362 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 34' ' ' THR . 82.2 mt -64.82 -42.78 94.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.197 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.8 -36.6 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.814 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -69.09 -46.06 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 26.1 mmt -50.36 -50.7 50.54 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.987 174.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.2 m -60.11 -39.07 84.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.9 m -66.75 -40.13 88.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.764 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.9 mm -65.58 -41.79 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 0.0 109.766 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -55.26 -41.32 72.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.546 176.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 42' ' ' SER . 23.5 mm-40 -62.79 -36.2 82.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -61.32 -38.89 88.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.9 mtp -75.94 -48.72 20.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 98.1 t -56.67 -47.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.526 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.45 -37.36 83.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 30.8 m -72.86 -36.83 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.997 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -69.36 -29.26 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.778 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.5 mm-40 -57.58 -45.23 85.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.271 0.558 . . . . 0.0 109.714 174.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -68.52 -38.84 81.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 51' ' ' SER . 87.1 mt -61.37 -35.62 77.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.688 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.96 -18.02 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.87 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.61 -39.62 8.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.214 0.53 . . . . 0.0 109.648 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -74.29 -29.01 61.45 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.93 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.21 40.21 34.73 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.302 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -124.55 21.45 8.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.731 -0.234 . . . . 0.0 111.123 -175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 1.2 m -53.18 -57.3 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.571 0.544 . . . . 0.0 110.5 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.547 ' O ' HD22 ' A' ' 66' ' ' LEU . 96.9 p 50.4 165.28 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 124.454 1.101 . . . . 0.0 113.253 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.43 -11.9 22.69 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.679 1.586 . . . . 0.0 110.677 170.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -70.78 -51.33 27.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 61' ' ' THR . 14.1 mptt -61.86 -44.16 97.38 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 109.855 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -61.57 -30.01 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.047 -178.825 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.11 -48.88 49.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.212 173.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.0 79.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.161 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.5 mt -76.38 -2.94 34.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.65 -44.24 13.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mtm -79.85 -55.2 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.576 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.21 -34.97 75.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.871 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -58.87 -53.21 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.958 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.97 82.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.694 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 p -69.28 -26.12 64.59 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -65.06 -45.47 85.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.575 0.226 . . . . 0.0 110.827 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.405 ' HE2' ' HB2' ' A' ' 77' ' ' MET . 3.8 mpp? -70.74 -31.03 67.72 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.231 175.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.69 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.88 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.03 -50.05 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.05 -46.09 94.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.82 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 93' ' ' LYS . . . -67.98 -37.34 81.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.396 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.01 -174.272 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.897 0.379 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.41 -30.5 71.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.353 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -62.52 -30.95 71.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.77 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -82.68 -44.63 15.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.249 0.547 . . . . 0.0 110.257 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.481 ' HD3' ' HB1' ' A' ' 81' ' ' ALA . 44.5 mttp -64.06 -41.21 97.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.552 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 p -59.83 -50.97 71.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.641 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -63.72 -33.91 76.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.0 m -59.44 -47.13 86.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.591 HG22 ' SD ' ' A' ' 101' ' ' MET . 56.6 mt -63.63 -51.64 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -61.41 -36.31 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.948 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 t -66.12 -40.84 91.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.61 -35.75 73.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.602 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.591 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.1 mtp -65.25 -46.88 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.199 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 36.4 t -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.986 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.638 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 20.0 t30 -62.31 -40.23 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.4 77.11 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 2.5 t80 -66.3 -30.33 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.613 0.72 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 102' ' ' SER . 10.1 tp -63.78 -29.38 70.59 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.201 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 59.5 mm-40 -91.59 -17.97 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 15' ' ' LEU . 4.2 p -94.13 -61.54 1.51 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.937 -173.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 t -108.56 -4.69 16.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.964 0.412 . . . . 0.0 110.912 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.06 2.97 90.71 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.381 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.69 153.7 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.7 t -101.29 110.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.489 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.499 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.3 t-20 -85.19 80.88 9.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.43 0.634 . . . . 0.0 109.476 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.61 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 6.9 tp-100 -65.82 -44.53 63.25 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.783 -177.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -47.34 -49.56 12.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.724 2.283 . . . . 0.0 113.224 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.77 -32.18 71.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 113' ' ' ASN . 33.1 mt -64.53 -36.89 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -67.89 -29.45 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.457 ' O ' HD13 ' A' ' 123' ' ' LEU . 38.5 mt-10 -70.27 -53.2 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.264 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -58.39 -50.39 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.523 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 7.5 p -55.91 -47.39 77.56 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -64.67 -41.02 96.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -68.6 -38.06 80.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.274 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 120' ' ' ILE . 76.6 t -55.45 -53.46 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.029 0.443 . . . . 0.0 110.02 176.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 t -62.98 -48.28 79.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.818 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.544 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -72.21 -26.53 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.33 -53.49 23.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.282 -178.572 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.685 -0.166 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -147.26 -177.08 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.454 -0.439 . . . . 0.0 109.849 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.81 142.68 16.71 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.426 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.26 -50.8 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t 65.46 6.7 3.87 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.952 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -87.44 84.3 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.123 0.487 . . . . 0.0 110.164 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -170.58 -178.55 2.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.394 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 p -73.45 140.35 79.01 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.831 0.348 . . . . 0.0 110.977 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.09 -8.97 24.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.318 2.012 . . . . 0.0 111.847 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.533 ' HB2' HD22 ' A' ' 66' ' ' LEU . 5.4 m95 -94.48 3.11 55.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.637 -176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -70.9 -26.07 63.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.908 0.385 . . . . 0.0 111.014 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.509 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 14.4 t30 -130.95 130.32 22.79 Favored Pre-proline 0 CA--C 1.512 -0.482 0 CA-C-O 121.261 0.553 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 18.5 Cg_endo -61.7 -37.04 71.38 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 123.389 2.726 . . . . 0.0 111.042 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.78 -38.4 95.88 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.579 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 37.4 tp -73.19 -45.91 53.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.447 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.76 89.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.703 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.74 -44.93 96.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' HB3' HG22 ' A' ' 108' ' ' THR . 35.8 m-80 -69.69 -32.1 70.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.85 -52.16 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.472 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.8 OUTLIER -62.17 -35.52 79.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.215 177.677 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.8 m-80 -60.49 -52.45 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.798 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -69.92 -32.55 70.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.388 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.7 t80 -55.76 -55.43 32.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.208 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.565 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 48.0 mmm -65.19 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.631 -175.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.2 mt-30 -61.91 -37.05 83.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.89 -36.19 9.37 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.09 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 23' ' ' PHE . 11.5 tp -67.64 -31.19 71.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 p -61.44 -25.88 67.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 111.248 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -101.13 6.69 43.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.563 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 20.8 mmt -83.79 138.27 40.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.66 149.25 33.83 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.787 2.324 . . . . 0.0 111.849 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.09 -32.26 5.87 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.718 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -105.85 -169.47 1.59 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.786 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.4 t -152.23 171.75 17.47 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.43 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.176 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -61.5 -46.26 90.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.16 -46.45 87.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 110.043 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.3 mt -61.31 -42.09 98.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.218 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.52 -47.28 86.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.96 -39.51 89.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.2 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.164 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.1 m -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.912 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.4 mm -66.25 -36.26 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.191 0.52 . . . . 0.0 110.112 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.76 -34.47 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.597 175.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.09 -39.36 89.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.104 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -65.0 -35.27 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 109.747 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.8 mmm -59.86 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.287 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.5 t -62.86 -46.57 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.008 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.35 -37.17 64.61 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -65.64 -42.1 91.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.029 0.442 . . . . 0.0 109.993 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.63 -40.0 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.769 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 13.1 mm100 -56.7 -36.55 69.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.118 0.485 . . . . 0.0 109.962 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -75.07 -44.73 45.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.68 -43.85 85.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.737 0.303 . . . . 0.0 111.185 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.08 -20.15 59.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.821 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.95 -29.93 15.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.64 -177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -89.32 -7.46 55.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.621 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.14 43.81 88.88 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.263 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -128.45 22.76 5.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.647 0.26 . . . . 0.0 111.444 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 m -77.75 68.78 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.349 0.595 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -90.92 155.55 45.03 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.944 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -52.45 -40.53 71.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.863 2.375 . . . . 0.0 113.007 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -67.74 -24.56 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' O ' HD23 ' A' ' 69' ' ' LEU . 12.4 mptt -71.23 -50.69 30.29 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 10' ' ' TRP . 59.9 mt -61.31 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.379 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -57.96 -39.01 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.524 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.51 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 65' ' ' LYS . 4.1 mm? -56.05 -35.68 67.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.904 177.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.97 -52.18 61.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 0.0 110.939 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -71.63 -47.25 55.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.779 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -65.68 -39.83 91.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.202 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -58.03 -47.7 82.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.991 0.425 . . . . 0.0 110.705 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.4 87.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.547 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 12.0 p -70.77 -33.55 70.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -175.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.9 m -58.79 -42.11 88.26 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.125 0.488 . . . . 0.0 110.734 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.6 mtm -73.56 -31.88 63.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.223 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.51 89.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.561 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' SER . 46.9 mt-10 -55.46 -40.37 71.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.372 0.606 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 92.4 mt -71.99 -51.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.127 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.04 -32.29 69.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.321 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 t -76.93 -9.89 58.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 57.35 74.24 0.43 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.216 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.86 157.7 29.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.811 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.83 -106.34 1.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.268 -0.491 . . . . 0.0 113.151 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.7 -5.69 86.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.401 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.25 -75.81 0.95 Allowed Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.296 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -46.82 123.64 5.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.52 -29.65 69.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.059 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -56.93 -46.9 81.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.117 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.7 m -70.16 -37.89 75.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.46 -54.13 49.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.354 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.1 p -62.75 -38.75 91.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.9 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -66.24 -32.49 73.94 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 58.8 m -70.35 -41.73 72.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.612 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.579 HG22 ' SD ' ' A' ' 101' ' ' MET . 67.7 mt -57.7 -49.37 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 0.0 110.636 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.41 73.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.074 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -69.5 -40.53 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.86 -37.41 73.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.579 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.9 mtp -62.25 -49.05 77.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.819 0.342 . . . . 0.0 111.344 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 p -67.55 -38.32 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.565 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.6 t30 -68.89 -40.77 79.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.064 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.42 93.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.865 0.364 . . . . 0.0 111.295 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.445 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 3.3 t80 -66.87 -32.96 74.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.538 0.685 . . . . 0.0 109.245 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 106' ' ' LEU . 10.5 tp -60.9 -30.03 69.93 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.791 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.6 mm-40 -92.75 -27.92 16.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 111.124 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.2 p -81.11 -46.12 15.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -120.89 -23.32 5.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 103.5 -10.74 53.84 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.337 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.05 155.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.14 125.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.645 0.26 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -86.15 113.72 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.6 tp60 -82.32 -56.59 0.52 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.1 Cg_endo -53.98 -42.67 64.83 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.68 2.253 . . . . 0.0 113.468 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.43 -32.47 72.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.13 0.49 . . . . 0.0 110.165 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.38 -37.41 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 90.8 m-20 -62.61 -40.3 96.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 47.4 mt-10 -66.83 -57.61 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -51.65 -49.97 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.9 p -57.46 -40.47 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -73.03 -36.56 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.617 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.01 -42.25 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.947 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.0 t -53.01 -58.23 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.808 0.813 . . . . 0.0 109.621 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.6 m -59.85 -31.62 69.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.8 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.4 ttp -78.17 -51.91 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -68.1 -27.42 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.68 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.23 96.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 111.411 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.55 -35.7 78.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.33 44.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.226 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -108.42 -11.59 23.23 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.8 mtt -77.84 -33.49 52.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -114.75 149.32 37.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -77.24 71.35 3.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.181 0.515 . . . . 0.0 111.763 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.41 5.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 122.176 0.989 . . . . 0.0 109.117 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 p -108.22 24.96 12.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.749 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.697 -179.725 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.516 ' HA3' ' OD1' ' A' ' 4' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -94.02 -25.24 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.998 0.428 . . . . 0.0 110.727 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.23 74.04 0.18 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 4.0 m-20 -76.92 -65.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.136 . . . . 0.0 110.885 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m 60.12 91.16 0.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.671 0.607 . . . . 0.0 111.61 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -67.76 141.14 56.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -52.98 110.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.68 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.6 m -114.13 142.12 27.45 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.676 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 74.5 Cg_endo -77.75 -9.75 17.02 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.405 2.07 . . . . 0.0 112.608 178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 -5.28 25.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.59 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.73 -9.38 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -138.26 135.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.168 0.509 . . . . 0.0 109.936 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.65 -38.67 30.65 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 C-N-CA 123.018 2.479 . . . . 0.0 111.503 -176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.78 -35.01 89.06 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.933 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 tp -70.18 -40.43 74.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.79 75.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.663 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.79 -34.68 75.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.291 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -72.87 -36.06 67.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.99 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.77 -48.45 80.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.114 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.5 mmt -64.11 -36.19 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -61.97 -53.2 59.0 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.579 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 t -66.69 -34.16 77.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.154 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.91 -49.87 75.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.749 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.0 mmt -64.19 -37.99 89.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.784 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.61 -36.76 85.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.298 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.56 -36.39 33.79 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.871 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.5 -29.49 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 111.434 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -70.43 -12.3 61.49 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 110.646 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -93.47 1.74 56.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.149 0.499 . . . . 0.0 109.855 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.5 mmt -102.1 114.9 65.32 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.319 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.83 -1.96 8.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.096 2.531 . . . . 0.0 112.768 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.44 -27.95 73.5 Favored Glycine 0 C--N 1.313 -0.713 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.896 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -118.32 164.2 15.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 110.919 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.506 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -113.3 169.98 8.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.165 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.852 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 m -65.41 -43.04 91.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.16 -35.07 79.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.07 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.5 mt -64.14 -45.29 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.511 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.25 -47.39 84.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.8 m-20 -66.1 -39.32 89.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 ttm -65.17 -40.21 94.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 33.0 t -61.53 -37.09 82.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -67.45 -41.37 84.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.797 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 40' ' ' ASP . 42.9 mm -66.62 -37.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 0.0 109.83 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.67 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 42' ' ' SER . 31.1 mm-40 -63.92 -44.06 94.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.388 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -59.41 -34.37 72.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.6 tpp -69.33 -58.56 3.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.33 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.3 t -58.52 -47.31 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.04 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.82 -33.5 75.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.488 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 m -72.94 -39.73 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.03 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.809 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.8 mm-40 -53.11 -39.78 63.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -85.33 -41.78 15.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.979 0.419 . . . . 0.0 110.765 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.71 -45.49 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.78 -20.47 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.36 -34.01 13.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.993 0.425 . . . . 0.0 110.094 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.25 0.33 49.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.217 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.91 34.96 78.16 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.819 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.71 6.51 21.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 t -80.97 141.6 34.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.217 0.532 . . . . 0.0 110.796 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' HD22 ' A' ' 66' ' ' LEU . 32.2 m -156.84 154.06 25.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.21 -35.39 33.89 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.367 2.711 . . . . 0.0 113.476 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -64.16 -38.65 91.83 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.358 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -45.71 79.71 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.11 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.664 -178.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.138 0.494 . . . . 0.0 110.458 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.02 72.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.61 -34.1 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.72 -47.33 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.743 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -71.27 -47.6 55.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.094 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.78 -40.0 86.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.4 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -55.92 -47.65 77.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.646 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.47 71.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.636 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 54.1 p -65.22 -38.24 89.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.698 -175.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.4 ' HB3' HG21 ' A' ' 44' ' ' ILE . 37.7 m -65.58 -38.2 88.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 111.273 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.87 -35.54 74.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 109.933 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.54 -42.6 96.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.976 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 75' ' ' SER . 44.7 mt-10 -56.54 -45.92 80.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.7 -49.27 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.873 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.6 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.899 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.83 -9.16 32.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.117 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -82.07 71.93 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -172.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 48.45 78.52 0.08 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.79 0.805 . . . . 0.0 110.809 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.41 131.62 44.36 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.842 -168.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.1 57.73 3.6 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.08 -69.37 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.23 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.76 31.02 1.27 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.312 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.8 t 177.47 118.28 0.03 OUTLIER 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.722 0.409 . . . . 0.0 110.245 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tt -91.66 -27.35 18.16 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -64.46 -35.72 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.467 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.7 m -67.47 -28.88 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.373 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -66.32 -49.33 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.654 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -59.02 -41.86 88.76 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 m -65.46 -40.57 93.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.926 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.2 m -62.12 -48.81 78.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.526 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -50.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.788 0.328 . . . . 0.0 110.552 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.3 97.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.527 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.3 m -68.72 -34.29 75.38 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.53 55.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.107 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.4 ' HE3' HG12 ' A' ' 117' ' ' ILE . 38.4 mtm -64.89 -42.24 94.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.615 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.4 p -63.6 -41.9 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.193 0.521 . . . . 0.0 110.282 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 12.4 t30 -65.78 -40.92 92.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.872 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.03 90.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HD1' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -58.16 -42.09 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.737 0.78 . . . . 0.0 109.224 174.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 106' ' ' LEU . 7.2 tp -59.53 -33.59 71.58 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.147 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 55.6 mm-40 -87.26 -32.83 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 111.23 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.3 p -77.27 -61.03 2.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 111.592 -174.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -104.61 -16.81 14.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.745 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.16 -16.14 61.65 Favored Glycine 0 N--CA 1.455 -0.094 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.321 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.43 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 17.4 t -119.79 154.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.79 129.7 73.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.405 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 51.8 t-20 -92.72 96.85 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -68.39 -48.95 33.78 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.262 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.7 Cg_exo -52.24 -36.07 66.05 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.167 1.911 . . . . 0.0 113.039 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.405 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 3.8 t80 -67.0 -39.19 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 109.295 -177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.4 HG12 ' HE3' ' A' ' 101' ' ' MET . 65.1 mt -69.69 -37.76 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.151 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 8.5 m-20 -57.09 -33.98 67.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.243 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.7 mt-10 -73.53 -43.96 58.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -62.98 -48.33 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.4 p -55.68 -47.19 77.19 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 8.0 mm100 -65.48 -37.37 86.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.1 mp -72.87 -35.9 67.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -57.41 -53.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.035 0.445 . . . . 0.0 109.863 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.1 t -58.3 -47.61 83.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.13 -48.36 73.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.831 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -76.77 -22.42 53.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.953 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.34 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.443 0.64 . . . . 0.0 110.1 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -64.43 -20.07 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.478 ' HA ' HG11 ' A' ' 135' ' ' VAL . . . -89.7 6.18 42.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.85 13.97 12.87 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.159 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.7 mtt -107.8 -74.32 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -174.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -162.76 131.12 3.93 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.6 t70 62.13 40.65 11.65 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.692 0.758 . . . . 0.0 112.312 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' A' ' 130' ' ' ALA . 9.9 p -102.82 4.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 121.703 0.763 . . . . 0.0 110.606 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.6 m -98.67 26.72 5.37 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.529 -172.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.511 -0.756 . . . . 0.0 110.425 178.273 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -81.6 114.07 20.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.97 76.9 1.65 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.37 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -61.9 -81.84 0.02 OUTLIER 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.977 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -88.23 87.4 7.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.734 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.21 59.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.683 0.754 . . . . 0.0 110.873 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 t -138.08 124.49 20.65 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.578 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.3 m -125.46 138.94 32.76 Favored Pre-proline 0 C--N 1.314 -0.949 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 8' ' ' THR . 34.6 Cg_endo -66.54 -12.67 36.73 Favored 'Trans proline' 0 N--CA 1.466 -0.089 0 C-N-CA 122.199 1.933 . . . . 0.0 111.764 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.2 5.38 44.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.519 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -75.27 -24.53 57.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.238 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -139.33 132.49 15.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.52 -32.87 88.39 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 C-N-CA 123.495 2.796 . . . . 0.0 111.933 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.42 -32.46 62.25 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.589 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.75 -57.65 5.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.25 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.76 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.38 -47.92 80.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.011 0.434 . . . . 0.0 110.402 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -73.95 -28.5 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.8 -56.58 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -34.73 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.308 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.3 m-80 -57.94 -59.54 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.344 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.0 m -62.65 -36.35 82.56 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.82 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 81.3 t80 -56.73 -54.38 46.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 1.7 mmt -65.28 -35.67 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.305 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.5 mm-40 -58.44 -50.8 72.42 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.735 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -71.13 -37.93 63.64 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.187 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -58.6 -41.15 85.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.404 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -66.77 -17.94 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -96.76 2.12 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.023 0.44 . . . . 0.0 110.487 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 26.3 mmt -91.67 122.37 65.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.955 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.57 109.93 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.574 2.183 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.64 -38.77 0.58 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.252 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 53.5 m-85 -88.19 -178.6 5.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.218 0.533 . . . . 0.0 110.991 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 t -138.38 164.63 28.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.255 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.72 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.397 0.436 . . . . 0.0 111.671 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -59.93 -43.27 95.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.44 -30.6 64.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.094 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 27' ' ' LEU . 96.9 mt -68.78 -40.42 79.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -51.01 71.6 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.304 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . 39.8 m-20 -64.27 -45.99 85.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.8 ttm -58.1 -42.2 85.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.173 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 26.0 t -62.16 -46.49 88.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.419 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 m -63.65 -41.14 98.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.22 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -66.6 -40.3 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.123 0.487 . . . . 0.0 110.266 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.16 -36.67 73.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.534 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.3 mm-40 -63.95 -34.95 79.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.703 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -59.93 -39.72 86.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.124 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.8 ttm -69.12 -47.57 64.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 94.5 t -56.65 -45.12 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.482 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -61.0 -37.29 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 58.5 m -69.14 -38.25 78.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.46 -37.55 79.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.76 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.1 mm-40 -55.55 -48.17 75.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 0.0 110.054 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.3 m -64.01 -42.56 97.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.977 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 82.3 mt -61.45 -46.23 90.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.287 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.59 -3.38 50.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.07 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 -41.92 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.102 0.477 . . . . 0.0 109.99 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.96 -27.63 26.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.699 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.54 43.31 6.96 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.104 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -105.5 9.19 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 55' ' ' LEU . 1.2 m -82.54 84.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 112.18 -172.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -89.42 158.98 45.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 169.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.8 -24.98 40.7 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.67 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.0 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.045 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 27.0 mmmt -61.42 -49.76 75.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.004 0.431 . . . . 0.0 110.246 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD22 ' H ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -70.03 -33.44 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.631 -174.035 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.08 -42.49 94.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.234 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.35 66.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.3 mt -62.01 -31.97 72.4 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.602 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -53.61 -56.26 18.75 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.529 0.518 . . . . 0.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.19 -45.17 93.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.372 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -65.19 -42.16 93.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.506 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -61.5 -46.21 90.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 -32.96 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.1 p -67.21 -41.42 85.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.77 -29.99 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.048 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.361 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -36.24 82.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.348 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.72 -47.82 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.464 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -20.07 63.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.15 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -25.02 66.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.053 0.454 . . . . 0.0 110.48 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -80.01 83.73 5.86 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.734 0.778 . . . . 0.0 110.02 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -79.16 -5.03 53.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.527 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.88 113.64 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.53 -18.09 11.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.704 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.82 -119.59 1.17 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.365 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.2 173.92 15.22 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.09 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.6 m -64.98 177.1 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.456 0.646 . . . . 0.0 112.153 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.5 -41.41 88.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.756 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -55.46 -35.3 65.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.148 0.499 . . . . 0.0 111.849 -176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.9 m -73.48 -31.42 63.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.383 0.611 . . . . 0.0 110.734 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.5 mtmm -87.68 -37.24 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.302 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 p -54.92 -46.16 74.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.968 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -60.99 -37.45 82.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -62.47 -44.88 95.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.326 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.49 -52.6 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.044 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.97 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.947 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.1 m -64.88 -36.39 84.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 120.792 0.33 . . . . 0.0 110.971 -177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.72 -34.7 34.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.5 ttp -70.28 -44.1 69.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.409 ' O ' HD13 ' A' ' 106' ' ' LEU . 32.2 m -62.07 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.455 0.645 . . . . 0.0 110.133 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.9 t30 -64.93 -33.27 75.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.56 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -36.56 83.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.504 0.669 . . . . 0.0 109.87 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 102' ' ' SER . 8.5 mp -66.47 -34.41 77.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.767 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.0 mm-40 -73.26 -30.55 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.8 p -92.27 -59.76 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -171.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -119.88 -9.8 9.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.957 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.86 1.39 88.93 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.856 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.17 145.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.67 124.8 70.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.128 0.489 . . . . 0.0 111.354 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -81.23 91.08 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.563 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.452 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.4 tp60 -64.45 -47.62 76.78 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.767 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.4 Cg_exo -47.51 -45.25 23.58 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.519 2.146 . . . . 0.0 113.3 177.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.27 -37.85 71.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.237 0.542 . . . . 0.0 110.022 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.51 -31.64 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.441 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.3 m-20 -61.95 -39.49 92.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.313 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' HD13 ' A' ' 123' ' ' LEU . 41.9 mt-10 -64.73 -51.35 62.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.68 -54.93 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -56.98 -42.99 81.22 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -171.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 76.5 mm-40 -69.58 -38.77 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 0.0 110.454 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.5 mp -69.76 -38.02 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.8 t -53.42 -58.17 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.532 0.682 . . . . 0.0 109.501 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.9 m -54.79 -46.56 74.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.773 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.4 ttp -66.37 -44.79 82.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.44 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -77.91 -25.96 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.845 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.44 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.223 0.535 . . . . 0.0 110.834 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -65.91 -23.94 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.554 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.22 59.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.97 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.36 -18.97 24.63 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.4 mtt -86.34 -48.67 8.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.496 0.665 . . . . 0.0 109.875 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.01 145.03 27.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.201 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.15 70.25 3.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.433 0.635 . . . . 0.0 111.362 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p -112.66 9.41 8.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 122.472 1.129 . . . . 0.0 109.015 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.9 p -88.23 80.17 7.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.146 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.536 -177.158 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -128.28 173.26 10.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.615 0.245 . . . . 0.0 110.815 -176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.15 41.3 0.77 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.737 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.02 -21.27 63.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m -84.96 6.1 26.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.922 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -101.25 41.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 m -74.6 90.6 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.367 0.603 . . . . 0.0 111.232 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m -148.65 138.32 12.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.01 -21.0 72.93 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.892 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.26 12.11 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.278 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 t -62.07 -42.97 99.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.97 140.94 39.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.4 -40.46 57.61 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.086 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.72 -31.97 77.12 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.153 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.79 -58.99 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.23 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.632 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.81 -50.28 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.79 -31.37 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.867 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.11 -50.7 72.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.014 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.51 -35.85 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.723 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 7.2 m-80 -59.4 -56.88 16.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.492 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -65.15 -30.82 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.36 -52.55 65.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.123 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.793 -179.464 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 35.1 mm-40 -56.13 -42.73 77.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.37 -36.48 26.8 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.349 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 9.2 tp -68.26 -29.34 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.6 0.238 . . . . 0.0 111.595 -175.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 p -74.38 2.09 10.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 m -115.59 3.03 13.91 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.199 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.52 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.5 mmt -92.83 138.07 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -175.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.62 160.5 22.04 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.805 2.337 . . . . 0.0 111.672 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 106.14 -12.74 44.67 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.542 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.55 -168.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.928 0.394 . . . . 0.0 110.543 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.8 t -153.49 171.94 17.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.632 0.582 . . . . 0.0 111.967 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -68.7 -46.22 69.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.753 0.311 . . . . 0.0 110.268 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -33.86 76.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.157 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 34' ' ' THR . 98.0 mt -71.73 -43.91 65.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.67 -44.86 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.307 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.3 m-20 -61.94 -45.14 94.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.1 ttm -63.86 -35.99 82.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 43.6 t -58.94 -47.04 86.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.121 177.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.7 m -65.24 -38.36 90.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 40' ' ' ASP . 41.1 mm -67.98 -39.54 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 109.925 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -60.17 -36.21 77.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.355 176.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -67.09 -32.43 73.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 m -68.27 -34.36 76.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.08 0.467 . . . . 0.0 110.009 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.8 mmm -63.17 -47.81 81.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.811 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.64 -51.23 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.94 -36.93 70.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.756 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -68.69 -37.28 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.8 mm-40 -57.88 -34.47 69.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.198 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -81.32 -44.58 17.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.04 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 51' ' ' SER . 79.9 mt -58.41 -39.86 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.459 -178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -12.93 60.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.566 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.36 -28.97 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.307 0.575 . . . . 0.0 110.042 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -87.29 -7.5 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.69 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 39.06 84.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.943 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -123.35 25.81 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.625 0.25 . . . . 0.0 111.447 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.56 63.27 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.862 0.839 . . . . 0.0 110.86 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 m -79.68 139.95 54.81 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.344 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.03 -25.4 63.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.59 2.194 . . . . 0.0 112.83 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -69.31 -26.81 64.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.266 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.3 mttm -73.0 -49.51 28.47 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.497 0.665 . . . . 0.0 109.243 174.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.9 -39.91 87.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.289 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.8 tm0? -67.09 -43.0 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.23 71.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.04 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.0 mt -59.32 -34.71 72.66 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 7.2 t30 -52.91 -48.46 67.22 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.191 0.52 . . . . 0.0 111.248 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.6 mtm -71.6 -44.92 63.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.448 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -68.02 -37.19 81.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.016 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.91 -46.15 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.27 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.828 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.8 p -72.87 -34.26 66.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -65.46 -40.01 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.195 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.5 mtm -69.48 -32.66 71.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.084 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.67 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.138 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.0 mt-10 -57.79 -45.03 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.321 0.581 . . . . 0.0 110.405 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -67.58 -48.72 75.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.919 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.02 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -84.8 47.46 1.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.678 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.553 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 9.6 pt-20 -80.65 48.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -175.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.69 -18.19 62.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.08 5.79 84.51 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.97 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.45 174.41 35.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.002 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 93' ' ' LYS . . . 76.0 100.38 0.13 Allowed Glycine 0 C--O 1.221 -0.657 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.138 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.1 m -58.23 154.9 12.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.483 0.659 . . . . 0.0 112.767 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 125' ' ' SER . 51.0 tp -55.01 -25.9 33.33 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.076 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -54.38 -39.86 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.883 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 m -77.56 -39.28 46.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.553 ' NZ ' ' HB3' ' A' ' 84' ' ' GLU . 62.1 mttp -56.43 -49.63 74.01 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.617 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -60.03 -35.47 75.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.517 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 m -73.29 -42.2 62.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.698 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.52 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.8 m -61.56 -48.13 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.868 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.572 HG22 ' SD ' ' A' ' 101' ' ' MET . 65.6 mt -59.53 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.633 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.02 -32.36 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.631 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -71.37 -40.26 70.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.292 0.568 . . . . 0.0 109.77 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.75 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.769 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 97' ' ' ILE . 17.6 mtp -67.72 -47.11 70.29 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.769 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -63.5 -43.56 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.164 0.506 . . . . 0.0 110.168 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 t30 -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.01 177.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.06 86.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.924 0.393 . . . . 0.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.73 -31.66 70.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 109.393 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.05 -28.36 69.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.715 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -88.27 -28.42 21.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.827 0.346 . . . . 0.0 111.401 -176.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -88.71 -36.61 16.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.371 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.2 p -117.33 -36.49 3.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.82 -3.6 57.41 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.56 158.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.28 124.1 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.314 . . . . 0.0 110.577 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -84.17 120.2 25.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.208 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.542 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 6.5 tp-100 -86.23 -53.75 0.42 Allowed Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.6 Cg_endo -52.28 -48.64 20.75 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.891 2.394 . . . . 0.0 114.526 -170.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -71.32 -34.34 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.867 0.365 . . . . 0.0 110.465 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.93 -31.82 55.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.555 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -63.94 -31.89 73.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' HD13 ' A' ' 123' ' ' LEU . 34.0 mt-10 -86.44 -51.3 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.425 -174.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -52.96 -49.2 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 122.991 0.182 . . . . 0.0 111.251 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.7 p -54.95 -53.02 60.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -64.87 -40.14 94.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -69.55 -40.09 77.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 120' ' ' ILE . 77.7 t -56.89 -52.85 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.065 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.491 ' HA ' HD21 ' A' ' 90' ' ' LEU . 7.4 t -61.95 -46.42 89.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 58.6 ttp -61.65 -54.45 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.606 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 36.1 m-85 -66.94 -30.54 70.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.548 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.01 -54.31 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -65.34 -33.49 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.34 60.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.202 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.63 -24.79 17.1 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.91 -54.85 6.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.698 -0.751 . . . . 0.0 109.824 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -137.78 148.91 45.95 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.684 -173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 86.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.537 0.684 . . . . 0.0 110.228 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.54 0.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.931 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -107.31 95.81 5.97 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.244 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.657 175.399 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -76.93 94.35 3.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.791 0.329 . . . . 0.0 110.176 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.9 159.01 11.42 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.792 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.29 83.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -88.13 118.5 27.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.066 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -52.8 106.43 0.16 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.447 0.641 . . . . 0.0 112.004 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.2 m -79.33 90.43 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.39 0.614 . . . . 0.0 110.62 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.522 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.2 m -127.42 139.9 36.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.158 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 8' ' ' THR . 56.2 Cg_endo -70.86 -13.07 31.66 Favored 'Trans proline' 0 CA--C 1.525 0.059 0 C-N-CA 122.46 2.107 . . . . 0.0 112.748 -177.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.459 ' HB2' HD22 ' A' ' 66' ' ' LEU . 10.0 m95 -103.99 15.69 27.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.404 -174.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.448 HG23 ' HB ' ' A' ' 8' ' ' THR . 24.1 p -71.4 -39.01 71.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.457 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -132.02 148.75 71.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.631 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.69 -40.17 38.78 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.765 2.31 . . . . 0.0 112.063 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.62 -34.49 87.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.992 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -60.12 4.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.27 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.964 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.32 -55.56 33.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.42 . . . . 0.0 110.384 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -66.18 -33.68 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.155 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.46 -51.87 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.521 ' O ' ' HG2' ' A' ' 24' ' ' MET . 24.0 mmt -65.7 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -62.95 -51.6 66.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.463 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -65.59 -31.26 72.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.797 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.496 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 77.4 t80 -57.66 -52.3 65.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.22 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 20' ' ' MET . 61.6 mmm -65.6 -36.14 82.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.1 -39.03 80.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -83.96 -40.12 8.94 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.096 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -60.98 -36.94 80.77 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.628 0.371 . . . . 0.0 110.913 -176.243 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -66.78 -21.25 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.885 0.374 . . . . 0.0 111.529 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -99.82 10.22 41.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.612 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 25.9 mmt -96.31 116.71 66.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.35 110.97 2.98 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.06 1.84 . . . . 0.0 111.109 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.07 -31.97 0.88 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.906 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -102.04 -171.98 2.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.797 0.332 . . . . 0.0 110.295 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -150.66 175.15 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.48 75.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.411 0.445 . . . . 0.0 111.69 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 m -66.23 -44.02 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.655 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.09 -43.01 99.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 27' ' ' LEU . 1.9 mp -57.89 -38.78 76.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.569 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.44 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.46 -46.73 69.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.758 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.594 ' SD ' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -46.57 -53.04 12.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 173.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.3 t -61.92 -37.18 83.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.084 0.469 . . . . 0.0 110.552 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.9 m -70.47 -44.01 68.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.162 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.452 HG13 HD11 ' A' ' 80' ' ' ILE . 47.1 mm -68.6 -37.08 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.208 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.46 63.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.517 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.9 mm-40 -63.42 -41.14 98.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.884 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.9 m -60.84 -38.06 84.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.642 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.7 tpp -67.69 -49.74 61.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.469 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.7 t -59.89 -46.58 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.12 -28.58 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -73.82 -44.86 54.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.188 0.518 . . . . 0.0 110.242 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.01 -34.71 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.678 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.6 mm-40 -53.93 -45.16 71.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.024 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -72.42 -40.05 67.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.08 -36.48 83.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.564 0.221 . . . . 0.0 111.357 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.01 -14.06 59.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.76 -31.0 13.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -82.93 -16.73 46.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.884 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.54 32.35 71.28 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -113.58 29.62 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 111.374 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -76.6 80.73 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.617 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -100.34 146.95 32.87 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.55 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.97 -33.01 70.75 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.111 2.541 . . . . 0.0 112.784 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 93.0 m-20 -71.86 -21.07 61.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.7 mttm -76.85 -40.62 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.588 0.708 . . . . 0.0 109.314 173.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 10' ' ' TRP . 22.0 mt -72.06 -36.56 69.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.075 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -61.91 -32.73 73.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.577 . . . . 0.0 110.421 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 -32.94 66.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.596 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.8 mt -64.04 -32.58 74.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.713 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.47 -57.98 9.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.952 0.406 . . . . 0.0 110.561 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtm -59.48 -47.94 83.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.318 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.58 -48.66 80.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.071 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -57.06 -52.46 65.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.05 79.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.898 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 m -70.65 -29.59 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.562 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -69.33 -36.71 77.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.535 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.4 mtm -73.89 -29.63 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.092 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.33 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.888 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.12 -44.57 75.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.03 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.594 HG21 ' SD ' ' A' ' 41' ' ' MET . 70.4 mt -62.77 -52.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.248 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.5 80.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.175 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.28 -42.6 75.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.047 0.451 . . . . 0.0 110.955 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 t -84.23 49.61 1.69 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.188 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HB3' ' HE2' ' A' ' 93' ' ' LYS . 9.1 pt-20 -78.78 81.23 5.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.968 0.889 . . . . 0.0 111.172 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.71 -19.66 65.8 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.707 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.34 -10.35 59.51 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.144 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.54 -162.77 36.5 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.159 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.49 -16.43 12.65 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.837 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.9 m 72.63 127.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.653 0.739 . . . . 0.0 111.776 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.421 HD11 ' HB1' ' A' ' 128' ' ' ALA . 6.5 tt -76.33 -29.26 57.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.436 -174.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 m -59.65 -22.21 61.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.847 0.355 . . . . 0.0 110.829 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.8 m -90.69 -43.34 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.047 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 84' ' ' GLU . 61.6 mttp -53.23 -43.57 67.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.534 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -64.89 -18.94 65.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -91.08 -37.95 13.09 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 18.5 m -57.85 -43.08 85.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.504 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.609 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -59.73 -50.74 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.3 74.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.745 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 t -69.16 -41.58 77.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.29 79.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.609 ' SD ' HG22 ' A' ' 97' ' ' ILE . 30.3 mtp -64.66 -45.1 88.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.732 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.446 ' O ' HD13 ' A' ' 106' ' ' LEU . 29.3 m -60.38 -47.33 86.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.205 177.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 39.4 t30 -60.29 -37.61 81.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.049 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.02 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.104 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 19.4 m-85 -61.37 -39.04 89.19 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.402 0.62 . . . . 0.0 110.577 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 102' ' ' SER . 5.2 mp -59.36 -38.06 79.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.422 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.3 mm-40 -82.58 -29.23 30.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.187 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 p -84.31 -66.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 111.733 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -108.44 -14.03 14.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.457 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.48 6.19 87.78 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.193 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 t -135.8 143.52 36.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 p -114.65 128.73 71.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 120.999 0.428 . . . . 0.0 111.022 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -89.21 98.18 11.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.487 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.422 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.0 tp60 -67.39 -46.82 49.21 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.082 -177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.2 Cg_exo -46.79 -44.14 22.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.542 2.161 . . . . 0.0 113.175 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.65 -40.5 76.46 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.797 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.418 HG23 ' HE2' ' A' ' 101' ' ' MET . 55.7 mt -65.89 -36.44 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.561 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.432 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.0 m-20 -60.5 -36.96 79.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.088 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.4 mt-10 -66.39 -47.52 73.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.498 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -57.18 -48.05 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.7 p -58.72 -42.15 88.02 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 4.4 pt20 -78.02 -9.48 59.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.523 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 81.2 mt -94.96 -41.9 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.461 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -53.93 -59.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 O-C-N 123.304 0.377 . . . . 0.0 111.051 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -45.07 89.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.145 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -63.35 -55.63 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.34 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.05 -28.94 69.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.611 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 90' ' ' LEU . . . -71.64 -58.25 3.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.737 0.303 . . . . 0.0 111.664 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.28 -19.22 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.099 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.47 ' HA ' ' CG1' ' A' ' 135' ' ' VAL . . . -65.0 -18.67 65.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 111.043 175.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -99.57 -0.35 56.67 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 65.6 mtt -95.3 -59.99 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 0.0 109.953 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -98.59 166.92 11.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.576 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.02 91.7 5.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.805 0.812 . . . . 0.0 110.627 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 130' ' ' ALA . 7.9 p -141.52 12.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.801 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.1 m -107.06 79.74 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.788 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.421 -0.8 . . . . 0.0 109.855 -178.666 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -154.91 149.75 26.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.78 100.63 2.09 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.461 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -72.28 -21.68 61.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.997 0.427 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -135.8 78.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.228 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -99.93 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.919 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 m -65.27 96.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.246 0.546 . . . . 0.0 111.007 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -139.02 136.99 18.71 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.621 -178.683 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' HG22 ' A' ' 8' ' ' THR . 45.7 Cg_endo -70.19 -13.02 33.11 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.533 2.155 . . . . 0.0 112.722 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -100.94 15.0 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.05 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -67.73 -64.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.618 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.86 140.37 22.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.053 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.15 -42.76 52.1 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.839 2.36 . . . . 0.0 112.22 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.71 -39.78 97.14 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.585 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.46 -39.51 77.71 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.36 -0.494 . . . . 0.0 110.011 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.9 82.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.612 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.15 -38.21 87.56 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.098 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 108' ' ' THR . 23.9 m-80 -69.42 -37.12 77.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.419 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.35 -52.02 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 23' ' ' PHE . 19.2 mmt -63.82 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.336 . . . . 0.0 111.466 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.7 m-80 -67.57 -52.62 36.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.631 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -61.61 -32.94 73.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.502 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 20' ' ' MET . 64.0 t80 -54.54 -58.97 5.41 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.695 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.9 tpp -70.61 -32.09 69.31 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.595 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 15.9 mm100 -60.6 -35.35 75.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.019 0.437 . . . . 0.0 110.523 175.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.94 13.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.005 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.63 -31.42 72.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.556 0.217 . . . . 0.0 111.571 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -71.34 -2.44 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.975 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -108.01 2.9 23.52 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.8 mmt -99.14 136.36 20.54 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 30' ' ' MET . 5.8 Cg_exo -75.37 164.49 32.57 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.55 2.167 . . . . 0.0 111.768 173.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.78 -27.79 9.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.659 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.22 161.91 16.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 37' ' ' GLN . 11.3 t -108.58 163.72 12.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 170.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.88 66.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -62.28 -32.86 73.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.095 0.474 . . . . 0.0 111.173 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG3' ' CG2' ' A' ' 34' ' ' THR . 74.5 mt-30 -80.85 -40.33 25.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.072 -178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.11 -39.96 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.572 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.16 -42.02 98.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.975 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' O ' HG12 ' A' ' 44' ' ' ILE . 13.5 t70 -66.53 -48.74 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.85 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.5 ttm -58.88 -40.76 85.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.302 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 15.5 t -63.75 -39.68 94.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.399 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -67.84 -42.52 81.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.817 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.0 mm -65.82 -36.98 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.308 0.575 . . . . 0.0 110.13 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.61 -38.34 74.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.809 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.6 mm-40 -63.99 -33.72 76.37 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -63.73 -42.17 97.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.0 mtp -63.85 -42.03 97.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.066 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 93.8 t -56.61 -50.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.52 177.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.03 -35.94 78.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -66.93 -39.38 87.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.7 mt -74.32 -32.39 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.192 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -53.06 -48.06 67.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 110.423 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.5 m -79.81 -34.36 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.123 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 HD11 ' HD2' ' A' ' 65' ' ' LYS . 44.7 tp -57.01 -49.46 75.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.62 7.02 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 -34.37 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.176 0.512 . . . . 0.0 109.743 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -83.45 -7.39 59.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.701 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.12 24.01 77.49 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.42 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 60' ' ' ARG . 49.1 mtt180 -99.19 18.24 17.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.225 0.536 . . . . 0.0 110.994 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -73.03 105.07 4.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.799 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.467 ' O ' HD22 ' A' ' 66' ' ' LEU . 3.4 m -119.58 149.31 47.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.93 -40.77 49.03 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.961 2.441 . . . . 0.0 113.153 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.25 -35.73 78.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HD2' HD11 ' A' ' 55' ' ' LEU . 30.8 mttp -66.82 -40.37 87.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.8 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -69.75 -33.9 73.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 110.093 178.366 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.3 tt0 -63.31 -40.32 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.92 87.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 88.9 mt -64.79 -29.07 70.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 25.0 t-20 -60.75 -53.57 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.338 0.59 . . . . 0.0 109.995 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.57 -45.01 73.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.871 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -54.51 -46.44 73.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.82 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -58.67 -48.83 79.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.39 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.18 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.623 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.1 p -69.83 -39.0 76.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -61.88 -35.34 78.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.956 0.408 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.0 mtm -75.14 -36.61 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.953 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.29 -38.28 83.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.467 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.6 -47.09 83.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.409 0.623 . . . . 0.0 110.343 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.5 -38.06 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.684 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . . . -66.6 -17.36 64.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.371 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.9 6.6 21.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.74 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 t -94.73 94.53 8.16 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.29 14.91 26.24 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.232 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -52.3 8.47 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 49.3 4.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.057 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.66 87.2 1.7 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 89' ' ' SER . . . -78.0 118.57 5.0 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.527 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 23.1 t 169.58 92.08 0.0 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.29 0.636 . . . . 0.0 109.822 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' THR . 50.5 tp -70.74 -35.18 72.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.646 0.26 . . . . 0.0 110.356 176.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -53.16 -39.83 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.513 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 m -78.97 -44.03 23.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.768 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 89' ' ' SER . 61.9 mttp -53.46 -51.15 63.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 90' ' ' LEU . 10.2 t -69.69 -10.97 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.671 -175.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 m -95.11 -43.86 7.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.929 0.395 . . . . 0.0 110.415 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.523 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 54.1 m -55.11 -41.08 71.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.617 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.615 HG22 ' SD ' ' A' ' 101' ' ' MET . 68.9 mt -58.43 -47.06 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.02 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.43 99.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.145 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m -67.33 -32.64 73.73 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.0 0.429 . . . . 0.0 110.582 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.47 64.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.575 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.615 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.2 mtp -65.85 -44.48 85.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 27.0 t -64.35 -40.23 95.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.252 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 41.5 t-20 -55.36 -48.09 74.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.257 174.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.27 78.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.894 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -66.14 -32.17 73.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.229 0.538 . . . . 0.0 110.412 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 102' ' ' SER . 63.1 mt -73.81 -20.56 60.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.661 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 50.5 mm-40 -97.42 -18.66 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.1 p -92.32 -65.17 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -34.98 6.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.007 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.61 -11.14 38.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.5 t -111.55 142.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.9 t -103.65 137.36 32.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.087 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -109.52 102.79 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.564 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 7.2 tp-100 -66.57 -49.68 50.13 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 7.8 Cg_endo -49.33 -37.07 39.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.807 2.338 . . . . 0.0 114.142 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -73.4 -24.14 60.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.908 0.385 . . . . 0.0 111.073 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.13 -33.11 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.458 0.646 . . . . 0.0 109.672 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -61.46 -45.63 93.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.541 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.9 mt-10 -62.73 -55.56 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.391 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.53 -48.35 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.696 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 p -58.26 -42.42 86.41 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.17 -40.3 94.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 67.8 mt -70.21 -35.63 74.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.134 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 120' ' ' ILE . 87.0 t -56.84 -59.09 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 121.62 0.724 . . . . 0.0 109.659 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 m -58.97 -25.32 63.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.821 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.6 ttm -82.36 -60.21 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 111.036 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -69.61 -24.79 63.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.332 -172.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.46 98.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.197 0.522 . . . . 0.0 110.881 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -65.77 -30.13 70.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.997 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.92 -6.76 53.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.08 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -100.99 -21.77 11.54 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 59.1 mtt -79.62 -43.95 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.222 0.534 . . . . 0.0 110.265 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -99.35 139.16 35.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.778 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.9 74.3 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.279 0.561 . . . . 0.0 110.823 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -102.9 13.75 6.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 122.215 1.007 . . . . 0.0 109.067 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.4 m -78.38 91.18 4.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.426 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.755 174.483 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.876 -0.489 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -84.57 45.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.853 0.359 . . . . 0.0 111.213 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.62 -120.11 17.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.066 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -114.02 51.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 0.0 109.734 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -144.98 147.44 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.494 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -128.72 116.83 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.626 0.251 . . . . 0.0 110.616 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 m -74.37 98.43 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 110.514 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m -146.21 138.98 14.08 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 35.0 Cg_endo -64.74 -17.82 60.66 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.603 2.202 . . . . 0.0 112.944 -176.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -96.23 5.31 51.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.221 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -73.46 -27.71 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 111.042 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -136.43 135.84 21.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.5 Cg_exo -53.65 -43.42 57.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.844 2.362 . . . . 0.0 111.759 173.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.03 -38.19 95.67 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.466 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.9 -40.21 79.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 110.171 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.4 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.673 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 10.2 pt-20 -65.79 -39.68 91.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.167 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.85 -38.29 79.68 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.688 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.41 -47.52 81.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.217 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 24' ' ' MET . 25.5 mmt -65.29 -37.37 86.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 6.1 m-80 -58.46 -54.43 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.702 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -67.4 -31.44 71.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 80.5 t80 -58.11 -55.22 37.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.554 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.9 mmm -64.71 -33.86 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.692 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 57.8 mt-30 -58.08 -49.08 78.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.025 0.44 . . . . 0.0 110.803 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -77.46 -33.1 44.64 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.224 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 23' ' ' PHE . 13.6 tp -68.8 -32.69 72.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 111.007 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.0 m -97.67 -5.48 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.449 . . . . 0.0 110.231 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.453 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.4 mmt -85.58 133.62 41.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.82 144.87 31.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.573 2.182 . . . . 0.0 112.2 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.35 -26.78 5.7 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -109.37 -170.97 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.389 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.8 t -154.24 168.8 25.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.075 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.11 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.27 0.356 . . . . 0.0 111.74 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -46.12 91.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.101 0.476 . . . . 0.0 110.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 84' ' ' GLU . 70.0 mt-30 -68.8 -38.29 79.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.967 -178.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.4 mt -67.51 -36.1 80.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.77 -46.02 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.275 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.487 ' O ' HG12 ' A' ' 44' ' ' ILE . 14.0 t70 -64.81 -43.83 91.86 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.93 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.8 ttm -60.92 -41.1 95.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.863 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 24.7 m -62.68 -41.67 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.069 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.2 m -64.66 -45.5 86.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.2 mm -65.32 -35.8 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.257 0.551 . . . . 0.0 110.075 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.68 -36.76 72.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.359 175.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 42' ' ' SER . 24.5 mm-40 -67.69 -37.1 81.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.248 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -61.97 -42.61 99.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 110.045 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.8 mmm -58.82 -50.15 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.5 t -57.72 -49.62 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -57.23 -36.59 71.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.817 0.341 . . . . 0.0 111.57 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -67.57 -45.56 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.549 . . . . 0.0 110.078 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.3 mt -68.37 -33.36 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.187 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.2 mm-40 -51.82 -39.21 58.38 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.004 0.43 . . . . 0.0 110.929 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -92.06 -40.11 11.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.12 -50.52 72.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.412 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.75 -2.21 49.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.45 -38.15 9.31 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -79.11 0.81 26.57 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.842 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.44 32.61 84.77 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.601 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.456 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 96.6 mtt180 -107.88 17.75 22.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.298 0.57 . . . . 0.0 110.785 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.91 80.88 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.167 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -83.4 149.65 58.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.692 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.54 -40.04 29.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.971 2.447 . . . . 0.0 112.714 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.324 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.1 mttm -64.79 -44.95 88.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.923 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 26.3 tt0 -62.01 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.433 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HA ' ' CE ' ' A' ' 71' ' ' MET . . . -65.68 -34.52 78.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.884 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 84.5 mt -65.15 -28.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.737 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.526 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 9.0 t30 -59.71 -56.25 24.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.152 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.431 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 66.8 mtm -62.48 -42.17 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.017 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -58.78 6.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -58.82 -49.75 76.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.638 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.34 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.5 p -70.61 -30.3 66.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.419 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB3' HG21 ' A' ' 44' ' ' ILE . 55.8 m -62.94 -36.83 84.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.852 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.9 mtm -76.64 -33.64 58.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.97 91.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.259 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.56 -43.54 68.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.041 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.6 mt -76.91 -46.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.02 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.52 68.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.076 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.25 -33.1 67.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.894 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t -93.95 65.86 3.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.488 ' HA ' ' NE2' ' A' ' 37' ' ' GLN . 8.7 pt-20 -81.4 82.67 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.825 0.821 . . . . 0.0 111.519 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.69 -56.54 13.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.42 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 -17.11 79.08 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.433 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.17 -122.95 7.76 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.885 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.56 -145.49 31.65 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 m -142.79 145.92 33.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.915 0.357 . . . . 0.0 110.359 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.74 -35.55 81.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -57.44 -32.51 66.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 m -79.05 -39.23 34.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.062 0.458 . . . . 0.0 110.191 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.15 -43.63 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.455 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -68.48 -29.92 68.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.707 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -84.39 -34.9 23.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.304 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 30' ' ' MET . 3.2 p -66.83 -43.26 84.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.006 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.9 mt -55.97 -48.6 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.408 . . . . 0.0 110.545 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.21 83.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.421 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -73.9 -41.72 61.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.781 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtm -66.16 -45.08 82.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.711 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.2 m -57.58 -45.41 85.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.893 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 38.4 t30 -64.07 -36.81 85.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.068 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.48 88.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.127 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.525 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 33.0 m-85 -58.98 -36.71 75.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.284 0.564 . . . . 0.0 109.927 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.23 -21.01 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.936 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.8 mm-40 -95.58 -16.96 21.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.2 p -103.42 -67.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.844 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 t -104.81 -18.78 14.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.75 -14.97 63.46 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.819 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.5 t -119.04 145.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.3 t -97.62 133.06 40.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.418 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -97.64 96.46 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 109.943 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.615 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.3 tp60 -65.76 -49.25 60.74 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.263 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -43.22 -47.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.373 2.715 . . . . 0.0 114.272 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -72.68 -42.23 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.26 -31.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.6 m-20 -61.3 -42.69 99.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.48 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -74.95 -45.26 43.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.23 -51.22 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 122.96 0.163 . . . . 0.0 111.269 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.7 p -57.54 -37.37 72.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.96 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 28.7 mm-40 -67.64 -45.99 73.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.83 -40.06 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.329 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.8 t -52.48 -59.7 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 121.742 0.782 . . . . 0.0 110.164 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 m -54.36 -36.59 64.01 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 113.947 -1.479 . . . . 0.0 112.112 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 56.4 ttp -80.17 -49.46 11.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.973 0.416 . . . . 0.0 111.333 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -70.39 -26.18 63.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.83 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 110.681 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -64.1 -43.63 94.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.592 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.21 -6.57 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.636 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.44 -12.65 35.1 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.802 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 68.7 mtt -78.35 -85.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 110.798 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -174.93 176.28 2.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.0 t70 68.07 21.39 8.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.916 0.865 . . . . 0.0 109.827 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -97.5 66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.911 1.338 . . . . 0.0 110.183 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.5 m -147.54 109.7 4.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.233 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.623 -177.697 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 65.59 14.64 9.62 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.86 0.464 . . . . 0.0 111.799 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.04 40.22 2.3 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.433 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -131.31 -24.97 2.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.926 0.394 . . . . 0.0 110.241 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p -97.84 -10.5 24.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 111.244 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -90.06 80.64 6.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 109.656 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -65.37 110.47 2.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.46 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -128.52 141.63 42.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' HG22 ' A' ' 8' ' ' THR . 35.9 Cg_endo -65.6 -20.99 59.96 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.409 2.073 . . . . 0.0 112.494 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -99.46 23.36 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.08 -49.52 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.827 0.346 . . . . 0.0 111.677 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -122.5 146.53 47.74 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.451 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.6 -51.97 7.99 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 123.167 2.578 . . . . 0.0 112.219 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -28.81 73.66 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.172 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.86 -59.64 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.47 -39.91 70.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.641 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.67 -52.33 64.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.05 -32.41 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.643 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.71 -50.9 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.322 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.67 -36.1 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.532 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.6 m-80 -60.17 -52.83 63.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.466 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -69.34 -29.94 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.679 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -57.4 -51.19 70.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.211 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.56 -32.05 72.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.3 mm100 -58.24 -33.06 68.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.101 0.477 . . . . 0.0 111.078 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -92.92 -35.97 6.2 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.113 177.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -63.68 -20.24 65.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.076 0.465 . . . . 0.0 110.968 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -101.06 2.65 40.62 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.846 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.8 mmt -84.72 125.82 70.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.952 -178.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.69 132.17 21.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.729 2.286 . . . . 0.0 111.93 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 130.8 -28.46 3.72 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.996 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -108.59 -173.19 2.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.996 0.426 . . . . 0.0 110.759 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.551 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 t -153.17 163.16 40.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.19 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.436 0.46 . . . . 0.0 111.594 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -61.22 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.49 -30.24 57.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 0.0 110.274 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 34' ' ' THR . 83.6 mt -71.88 -36.53 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.714 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.63 -55.75 28.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.4 m-20 -63.8 -39.47 94.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.0 ttm -63.11 -37.89 89.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.766 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 48.3 t -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 m -66.98 -34.41 77.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.886 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.1 mm -65.57 -39.78 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 109.85 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.48 71.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.352 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.4 mm-40 -62.87 -35.36 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.646 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -69.67 -20.22 63.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.449 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 tpp -88.24 -57.01 3.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.685 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 47.2 t -66.46 -52.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.612 -173.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -20.15 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.69 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 t -75.36 -45.37 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.16 -29.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.4 mm-40 -52.95 -38.7 62.28 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.192 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -97.15 -32.8 11.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.345 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.01 -48.41 80.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.54 -6.82 59.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.697 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.85 -33.18 12.93 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -89.47 -6.67 56.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.859 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.52 49.87 47.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.202 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -124.98 18.98 8.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 0.0 110.235 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -86.46 98.42 11.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.601 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -100.79 146.67 32.48 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.828 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.26 -31.58 47.06 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.066 2.51 . . . . 0.0 112.413 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.6 -35.38 75.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.927 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 62.8 mttt -71.22 -40.92 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.079 0.466 . . . . 0.0 110.067 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.47 -44.35 87.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.627 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.0 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.745 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.7 mt -66.17 -25.45 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.447 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -49.08 -52.43 25.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.6 0.562 . . . . 0.0 111.718 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.42 -59.19 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.211 -173.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.59 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.762 -173.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -61.39 -48.32 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.991 0.424 . . . . 0.0 110.052 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.34 -47.91 74.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.51 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.655 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 78.5 p -65.96 -38.94 89.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.943 -173.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 m -63.14 -34.93 78.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.6 mtm -74.79 -35.71 62.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.541 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -61.7 -40.43 95.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.597 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' 75' ' ' SER . 34.3 mt-10 -61.99 -32.24 72.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.765 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.5 mt -77.15 -45.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.456 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.19 -29.15 70.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.942 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.68 -42.54 41.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.565 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -80.56 70.96 7.38 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -71.39 90.56 0.96 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.031 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -72.39 90.54 1.3 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.616 168.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.99 -148.48 19.58 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.4 113.43 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.61 -138.32 2.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.33 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -147.61 132.3 17.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.806 0.336 . . . . 0.0 110.368 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.0 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 m -62.94 -34.07 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 m -81.38 -36.04 30.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 110.03 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 45.1 mttt -57.42 -52.21 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.972 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.414 HG21 ' OG ' ' A' ' 125' ' ' SER . 22.9 p -59.94 -44.78 94.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 111.202 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -63.2 -36.65 84.35 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.136 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 74.0 m -63.35 -47.84 80.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.64 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.7 mt -58.96 -49.14 84.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.556 -178.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.19 73.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 t -72.18 -34.37 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 0.0 109.831 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.89 56.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.645 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.64 ' SD ' HG22 ' A' ' 97' ' ' ILE . 24.2 mtp -65.21 -46.16 81.83 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 106' ' ' LEU . 12.4 p -63.92 -46.33 85.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.089 0.471 . . . . 0.0 110.41 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 36.4 t30 -58.17 -41.47 83.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.944 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.001 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -41.67 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.314 0.578 . . . . 0.0 109.995 174.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 102' ' ' SER . 5.8 mp -61.75 -30.93 71.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.566 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 20.0 mm-40 -84.61 -32.27 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.299 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 p -86.46 -43.93 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 111.4 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -119.35 -37.43 3.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.944 0.402 . . . . 0.0 111.368 -174.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.34 -5.55 52.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.39 154.27 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.33 132.07 70.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.273 0.559 . . . . 0.0 111.223 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -84.09 100.9 11.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.944 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.2 tp60 -68.69 -49.56 28.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.6 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.8 Cg_endo -46.35 -46.31 17.2 Favored 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.192 2.594 . . . . 0.0 114.103 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' O ' HD13 ' A' ' 120' ' ' ILE . 15.0 m-85 -70.97 -40.25 72.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.535 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.1 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.602 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.7 m-20 -59.69 -48.73 80.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.45 -47.94 74.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.226 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.709 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -53.45 -52.21 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 121.32 -0.152 . . . . 0.0 111.114 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.8 p -58.56 -39.57 80.65 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.9 mm-40 -67.86 -45.0 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.274 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.15 -36.74 82.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.419 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -54.16 -58.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.567 0.699 . . . . 0.0 109.781 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.414 ' OG ' HG21 ' A' ' 94' ' ' THR . 58.2 m -55.76 -41.23 73.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.705 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -72.06 -54.48 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.199 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.88 -27.55 69.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.602 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.78 93.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.077 0.465 . . . . 0.0 111.051 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.01 -36.65 85.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.65 -5.19 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.054 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.08 -4.17 54.14 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 63.8 mtt -102.93 -39.48 6.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -114.22 128.51 56.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.334 175.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -75.02 91.79 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 136' ' ' SER . 3.3 p -110.37 -54.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.526 ' HB2' ' O ' ' A' ' 135' ' ' VAL . 10.7 t 164.77 133.22 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.215 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.12 178.144 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -63.52 105.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 0.0 110.976 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.95 48.11 2.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.475 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -79.74 -75.96 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.348 0.594 . . . . 0.0 109.674 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -116.17 -53.34 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 65.35 16.93 10.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.55 171.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 t -98.97 159.94 14.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.97 0.414 . . . . 0.0 110.231 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.492 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -92.6 139.45 23.67 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.83 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' HG22 ' A' ' 8' ' ' THR . 36.4 Cg_endo -66.66 -16.46 50.6 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.637 2.224 . . . . 0.0 112.992 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -91.53 16.16 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.611 0.243 . . . . 0.0 111.163 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -72.39 -37.11 68.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.0 111.586 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 15.7 t30 -132.99 129.19 20.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.484 0.659 . . . . 0.0 111.18 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 48.4 Cg_exo -51.58 -39.39 65.52 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 123.934 3.09 . . . . 0.0 111.814 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.86 -43.26 99.19 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.086 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 tp -64.95 -44.57 88.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.596 0.236 . . . . 0.0 110.392 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -60.61 -42.5 96.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.56 -58.73 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -56.62 -33.32 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.512 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.78 -50.16 72.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.255 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 25.8 mmt -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.546 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -56.29 16.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.772 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -68.57 -29.7 68.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.951 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 81.9 t80 -57.45 -50.63 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.355 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 51.3 mmm -63.8 -35.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.28 -39.8 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.98 -38.91 17.93 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.069 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -62.97 -34.02 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.679 0.391 . . . . 0.0 111.073 -177.237 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.488 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.5 p -69.35 -15.24 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -100.8 8.92 42.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.1 mmt -100.81 115.24 65.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.592 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.61 106.63 2.0 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.617 2.212 . . . . 0.0 112.53 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.12 -37.61 0.41 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.332 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.702 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 66.1 m-85 -96.69 144.55 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.512 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.457 HG22 ' HG2' ' A' ' 37' ' ' GLN . 9.0 t -102.76 171.98 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.44 76.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.559 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -62.72 -40.02 95.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.191 0.519 . . . . 0.0 110.791 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG2' HG22 ' A' ' 34' ' ' THR . 13.2 mm-40 -71.5 -40.25 70.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.877 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.513 ' CD1' HD12 ' A' ' 27' ' ' LEU . 5.3 tp -64.2 -40.45 96.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.1 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.62 -38.06 89.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.371 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.2 t70 -66.27 -47.89 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.415 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.7 mtt -50.54 -54.21 24.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.552 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.3 t -58.65 -42.82 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.341 -174.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 m -67.94 -45.72 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.55 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -64.81 -39.67 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.201 0.524 . . . . 0.0 110.048 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.21 -39.75 72.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.438 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 42' ' ' SER . 20.2 mm-40 -65.82 -35.02 79.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.768 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -62.67 -44.67 95.65 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.852 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.5 ppp? -72.5 -31.27 65.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.354 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 84.9 t -67.14 -41.67 87.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.624 0.249 . . . . 0.0 110.539 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 30.3 mm-40 -60.98 -30.18 70.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.027 0.442 . . . . 0.0 110.617 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -70.7 -38.75 73.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.782 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.89 -36.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.766 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.6 mm-40 -50.05 -52.28 35.65 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.389 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -74.07 -37.07 64.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.687 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD11 ' HD2' ' A' ' 65' ' ' LYS . 30.8 tp -56.43 -50.21 72.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.243 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.81 55.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.76 -33.36 11.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.336 0.588 . . . . 0.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -94.39 1.86 55.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.274 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.04 46.92 93.58 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.521 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -123.66 21.64 9.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.213 0.53 . . . . 0.0 110.258 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -74.61 79.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.211 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -92.4 140.82 24.27 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -51.24 -32.12 39.59 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.011 2.474 . . . . 0.0 113.584 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -59.73 -32.76 70.85 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.071 0.463 . . . . 0.0 110.804 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 10.2 mttm -72.47 -35.78 68.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 109.704 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.43 -34.28 60.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.93 -40.63 96.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.01 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.33 75.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.881 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.0 mt -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.642 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.88 -52.45 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.218 0.533 . . . . 0.0 110.21 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.1 mtm -68.94 -49.33 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 72' ' ' ARG . 27.8 mtt180 -56.53 -48.46 77.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.603 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.83 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 -52.4 62.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.086 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -69.52 -29.37 66.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -67.1 -36.98 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.642 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -77.38 -30.43 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.412 . . . . 0.0 110.183 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -56.14 -45.18 79.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.422 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 0.0 110.796 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.33 -44.78 90.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.504 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.25 -25.83 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.36 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.689 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 t -75.81 78.91 2.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.85 111.12 0.55 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.642 -1.163 . . . . 0.0 113.107 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.79 124.7 8.56 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.162 -1.381 . . . . 0.0 108.03 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.98 -47.85 1.0 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 105.38 101.85 2.74 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.592 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.53 155.38 14.36 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.502 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.46 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 29.6 t -64.9 153.67 39.64 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.542 -0.387 . . . . 0.0 110.401 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -47.88 65.32 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t -52.92 -39.62 62.94 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.542 0.526 . . . . 0.0 111.172 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.52 -43.97 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.381 0.61 . . . . 0.0 110.127 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.702 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.6 mtmm -75.98 -38.35 57.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.449 -174.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.254 0.549 . . . . 0.0 110.511 174.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.8 m -70.12 -23.19 62.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.269 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -69.86 -33.06 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 101' ' ' MET . 62.7 mt -71.6 -48.66 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -61.88 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.258 -175.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 p -69.02 -44.67 72.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.358 0.599 . . . . 0.0 110.119 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.94 -36.21 80.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.895 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.606 ' SD ' HG22 ' A' ' 97' ' ' ILE . 25.8 mtp -66.0 -48.25 71.82 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.4 t -59.58 -49.18 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.237 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 29.7 t30 -60.29 -40.46 90.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.423 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.29 85.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.31 . . . . 0.0 111.487 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.501 0.667 . . . . 0.0 109.313 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.434 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 14.1 tp -61.29 -25.55 67.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.163 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 54.4 mm-40 -94.75 -27.27 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 111.236 -177.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 p -84.75 -58.77 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.726 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 t -103.2 -19.61 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 0.0 110.891 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 95.35 -11.26 69.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 175.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.3 t -127.01 148.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.52 117.6 51.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -53.18 -53.89 50.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.774 -1.103 . . . . 0.0 113.513 -171.244 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.7 Cg_endo -43.55 -42.75 11.18 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 123.752 2.968 . . . . 0.0 115.337 -171.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -73.65 -23.27 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.146 -0.346 . . . . 0.0 111.552 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.9 mt -73.6 -31.59 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 110.154 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -66.16 -39.22 89.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.691 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.1 mt-10 -65.6 -55.17 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.953 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.79 -47.23 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.624 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 12.4 p -59.99 -43.11 95.37 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -174.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -69.23 -36.62 77.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.8 mp -68.59 -41.33 79.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' ILE . 83.8 t -57.94 -50.96 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 t -56.35 -42.74 78.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.166 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 49.3 ttp -77.06 -52.82 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.048 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.38 -26.03 65.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.95 -53.61 53.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 0.0 111.038 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.53 -26.85 68.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.828 0.347 . . . . 0.0 111.042 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.51 -2.14 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.982 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.19 0.03 19.05 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.214 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.28 -93.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.082 0.468 . . . . 0.0 110.929 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -178.42 -178.22 0.6 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.843 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.2 t70 63.77 20.25 12.13 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.789 0.804 . . . . 0.0 111.189 175.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.85 5.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 122.175 0.988 . . . . 0.0 109.638 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 p -93.75 78.14 4.24 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.787 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.142 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.794 -0.523 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -90.26 140.66 29.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.809 0.338 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.04 167.77 33.44 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -66.52 -61.19 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.74 0.27 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -155.31 89.18 1.19 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -83.04 81.57 8.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -96.29 147.48 23.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.503 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 4.6 m -157.62 145.09 13.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.0 Cg_endo -57.68 -14.18 16.5 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.917 2.412 . . . . 0.0 113.142 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -100.43 19.5 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.072 0.463 . . . . 0.0 109.89 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -70.08 -33.95 72.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.481 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -147.14 150.42 38.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.541 -175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 52.8 Cg_exo -53.73 -50.39 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.968 2.445 . . . . 0.0 111.543 173.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.66 41.89 2.59 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.959 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.98 -55.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.16 -42.02 65.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.614 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.56 -35.35 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.526 -177.345 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -64.77 -37.69 88.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.018 0.437 . . . . 0.0 110.178 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.73 -50.44 72.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.866 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.73 -35.6 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.741 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -62.56 -54.21 43.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -64.7 -31.36 72.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.617 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 63.8 t80 -58.94 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.511 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.68 -40.67 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.996 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.25 -31.75 73.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.296 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.57 -42.15 14.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.396 173.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.45 -36.03 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.045 0.538 . . . . 0.0 111.228 -178.121 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -72.41 -7.08 47.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.698 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -106.92 0.04 23.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 23.3 mmt -98.08 133.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.301 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.27 143.55 25.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.46 2.107 . . . . 0.0 111.941 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.7 -28.1 6.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.611 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -109.02 -165.84 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -161.41 170.63 19.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.52 68.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.226 0.329 . . . . 0.0 111.479 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -58.87 -46.61 87.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 80' ' ' ILE . 1.9 mp0 -64.34 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.119 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD11 HD12 ' A' ' 27' ' ' LEU . 9.1 mp -69.18 -34.02 74.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.641 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.0 -51.26 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.85 0.357 . . . . 0.0 110.29 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 m-20 -62.06 -42.78 99.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.506 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.72 -37.33 86.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.672 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 47.1 t -63.92 -45.01 91.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.4 m -59.53 -44.13 93.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.07 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.4 mm -66.43 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.166 0.508 . . . . 0.0 110.076 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.49 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.577 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.9 mm-40 -66.88 -40.1 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.491 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -61.21 -36.71 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.981 0.42 . . . . 0.0 110.14 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.5 tpp -64.51 -57.2 9.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.9 t -57.26 -46.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.524 -176.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -62.92 -30.5 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 111.616 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -76.55 -31.3 57.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.901 0.381 . . . . 0.0 110.327 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.63 -38.82 79.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.7 mm100 -55.83 -40.14 72.4 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.51 175.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.8 m -70.42 -43.13 70.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.895 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.64 -43.4 93.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.422 0.154 . . . . 0.0 111.313 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.82 61.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.94 0.4 . . . . 0.0 111.624 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.89 -31.83 13.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.392 0.615 . . . . 0.0 109.812 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -85.41 -14.83 45.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.624 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.43 29.11 71.83 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.4 34.76 5.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.208 . . . . 0.0 111.389 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.531 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 1.7 m -65.78 -70.87 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.689 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.448 ' HB2' ' HD2' ' A' ' 63' ' ' PRO . 88.3 p 50.8 160.46 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 124.567 1.147 . . . . 0.0 112.817 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 62' ' ' SER . 42.0 Cg_endo -69.11 -15.74 39.76 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 121.627 1.551 . . . . 0.0 112.116 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.654 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.1 t-20 -74.76 -39.59 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.728 -175.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.531 ' HD3' ' O ' ' A' ' 61' ' ' THR . 0.8 OUTLIER -69.05 -39.49 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.493 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -39.4 92.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.236 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -68.06 -34.12 75.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.103 0.478 . . . . 0.0 110.286 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.59 -43.3 60.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.572 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.1 mt -60.32 -33.54 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.209 176.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.08 -42.96 73.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.291 0.567 . . . . 0.0 111.024 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.4 mtm -79.49 -44.9 20.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.538 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.53 -31.32 70.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.44 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -64.03 -44.31 92.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 0.0 110.691 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.76 88.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.311 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.3 p -72.21 -36.57 69.2 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -65.66 -38.36 89.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.8 mtm -69.89 -33.96 72.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.159 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.87 83.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.95 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 75' ' ' SER . 68.7 mm-40 -56.93 -45.4 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 0.0 110.293 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.541 HG22 ' HG3' ' A' ' 37' ' ' GLN . 83.9 mt -68.91 -45.71 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.004 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.25 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.652 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.55 -33.71 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -102.81 72.58 1.22 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.23 148.45 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.107 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -113.24 -72.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.963 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.92 -63.27 1.83 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.707 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.73 110.87 3.13 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.832 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 82.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.262 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.8 p 177.57 123.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.517 0.327 . . . . 0.0 110.442 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.1 tp -86.31 -26.97 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.971 0.415 . . . . 0.0 110.307 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -57.09 -44.65 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.3 m -76.46 -30.65 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.151 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' SER . 64.6 mttp -61.36 -46.42 90.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.3 p -60.3 -45.09 94.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.817 0.341 . . . . 0.0 111.524 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -34.49 78.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -65.77 -39.84 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.746 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 101' ' ' MET . 68.3 mt -65.32 -43.92 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 0.0 110.059 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -59.71 -46.37 89.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.998 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -69.06 -44.2 73.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.022 0.439 . . . . 0.0 110.6 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.66 92.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.963 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.8 mtm -67.32 -44.8 78.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t -57.62 -46.29 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.263 0.554 . . . . 0.0 109.885 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 16.4 t30 -62.26 -39.73 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.04 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.56 81.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.712 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.431 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 17.3 t80 -70.68 -30.57 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.492 0.663 . . . . 0.0 109.349 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 106' ' ' LEU . 11.5 tp -61.85 -25.97 67.85 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.575 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 48.5 mm-40 -96.77 -12.94 23.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.491 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.7 p -99.17 -31.01 11.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.043 0.449 . . . . 0.0 110.982 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.9 p -123.96 -42.26 2.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.6 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.83 -1.93 38.77 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 t -120.54 156.48 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.43 122.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.673 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -101.56 101.44 12.01 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -78.88 -46.17 1.79 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.23 -50.69 5.29 Favored 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 123.106 2.537 . . . . 0.0 114.363 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.22 -40.72 86.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 31.6 mt -61.97 -37.68 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -60.41 -50.88 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.62 -47.45 84.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.93 -51.94 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.46 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 98' ' ' ALA . 31.7 p -58.91 -43.01 90.96 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.34 -30.54 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.116 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 mp -75.53 -37.87 59.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.999 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.5 t -55.47 -52.3 48.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.08 0.467 . . . . 0.0 110.059 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -57.37 -50.35 73.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.974 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.5 ttp -64.29 -49.57 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.788 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -70.81 -28.61 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.18 81.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 111.668 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.8 60.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -104.1 9.04 50.15 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.0 mtt -108.72 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.212 0.529 . . . . 0.0 109.958 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -125.28 165.86 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.052 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.32 94.27 3.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.909 0.861 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.11 -1.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.246 1.022 . . . . 0.0 109.212 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.4 m -82.83 76.69 9.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.384 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.226 -179.676 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -72.28 -45.23 60.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.847 0.356 . . . . 0.0 110.478 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.7 44.79 3.29 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.308 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -155.26 -47.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -68.36 88.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.296 0.569 . . . . 0.0 111.036 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -78.77 127.37 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.126 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.61 115.99 4.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.858 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.526 ' HB ' HG23 ' A' ' 11' ' ' THR . 1.5 m -132.7 134.57 24.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 176.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' HG22 ' A' ' 8' ' ' THR . 72.3 Cg_endo -75.61 -12.81 20.33 Favored 'Trans proline' 0 CA--C 1.526 0.093 0 C-N-CA 122.699 2.266 . . . . 0.0 113.527 -172.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.437 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.3 m95 -103.59 13.03 34.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.129 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.526 HG23 ' HB ' ' A' ' 8' ' ' THR . 9.5 p -75.74 -54.39 7.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.0 111.243 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.46 135.31 19.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.894 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -64.39 -36.29 45.54 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.417 2.078 . . . . 0.0 111.879 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.29 69.92 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.485 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.82 -46.01 73.06 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.97 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.096 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.75 -52.51 64.73 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.603 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -68.52 -36.76 79.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.378 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -59.53 -50.0 75.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.434 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 18.9 mmt -64.07 -31.27 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.9 m-80 -68.3 -53.85 21.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.602 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.4 m -63.42 -29.21 70.54 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.019 0.438 . . . . 0.0 110.658 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.58 -51.38 70.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.301 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mmt -71.07 -32.48 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.84 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 55.4 mt-30 -58.2 -33.13 68.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 110.347 176.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -90.25 -40.9 5.66 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.182 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.3 -34.91 74.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.595 0.358 . . . . 0.0 110.842 -177.205 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -69.79 -8.22 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -118.76 12.96 13.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.044 0.45 . . . . 0.0 110.761 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -94.16 138.31 22.6 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.05 139.55 39.49 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.91 2.406 . . . . 0.0 113.009 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.6 -39.94 2.63 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.714 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 95.8 m-85 -88.91 -175.97 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.0 t -156.76 168.37 27.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.942 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.11 68.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -65.87 -37.69 86.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.508 HE21 ' HG2' ' A' ' 85' ' ' GLU . 76.4 mt-30 -74.54 -34.91 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.822 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 34' ' ' THR . 91.0 mt -65.15 -39.64 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.63 -49.68 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.773 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.37 -49.38 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.934 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.376 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.9 t -64.56 -36.83 85.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.895 -178.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.2 m -65.46 -41.35 93.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' A' ' 76' ' ' SER . 42.2 mm -66.61 -37.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.123 0.487 . . . . 0.0 109.845 177.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -58.09 -38.9 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.549 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.3 mm-40 -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.575 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t -62.19 -37.27 84.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.249 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 mtp -68.57 -48.21 64.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.2 t -57.54 -47.84 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.962 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -64.37 -26.31 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 t -76.77 -46.92 23.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.71 -30.33 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.136 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.7 mm-40 -50.53 -39.46 49.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.265 176.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -96.94 -37.98 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.83 -42.43 93.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.73 0.3 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.42 -13.27 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.681 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.54 -31.0 15.38 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.01 -4.81 58.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.638 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.62 31.96 81.68 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.572 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -110.85 19.09 18.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.553 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 10.0 t -99.72 68.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.342 1.068 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -74.35 159.61 83.26 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.27 -32.36 10.48 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.512 2.808 . . . . 0.0 113.3 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -60.52 -34.41 74.06 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.456 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -65.7 -45.63 82.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -31.66 71.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.53 -42.71 99.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.64 -48.6 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.788 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 2.7 pp -68.96 -21.51 64.18 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.022 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.524 ' N ' HD12 ' A' ' 69' ' ' LEU . 21.0 t-20 -51.73 -49.24 62.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.207 0.527 . . . . 0.0 109.753 175.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.4 mtm -66.09 -54.06 30.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.389 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 72' ' ' ARG . 30.5 mmt180 -67.23 -30.01 69.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.18 -176.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -61.71 -54.75 38.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.8 82.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.672 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 24.9 p -73.61 -22.61 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 44' ' ' ILE . 79.9 p -68.93 -39.27 79.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.332 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.38 -28.7 64.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.124 174.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.9 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 75' ' ' SER . 7.6 mm-40 -54.74 -31.75 58.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.454 0.645 . . . . 0.0 111.033 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.0 mt -93.0 -47.02 13.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.341 -177.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.79 63.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.176 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.54 -2.28 55.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 111.068 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t -121.02 87.91 2.84 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -88.09 93.81 9.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.645 0.736 . . . . 0.0 111.723 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.508 ' HG2' HE21 ' A' ' 37' ' ' GLN . 14.7 pt-20 -85.58 -22.41 28.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.199 172.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.21 -68.44 1.13 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.136 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.59 -174.08 21.18 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.06 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.21 -97.97 0.64 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.519 ' HB3' ' OG1' ' A' ' 92' ' ' THR . 40.4 t -177.84 156.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.72 -32.5 73.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.138 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 89' ' ' SER . 28.5 m -65.12 -43.67 91.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.51 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.2 mtmm -81.58 -23.79 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.132 -172.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 p -68.77 -38.65 80.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.4 m -68.35 -38.15 81.16 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.358 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 72.7 m -54.58 -49.48 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.589 177.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.581 HG22 ' SD ' ' A' ' 101' ' ' MET . 66.2 mt -60.5 -49.51 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.59 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.684 -176.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -68.48 -40.42 80.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.47 -36.87 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.669 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.581 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.4 mtp -66.07 -48.6 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.686 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.95 -46.71 88.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.4 t30 -62.11 -36.6 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.112 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.92 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.228 . . . . 0.0 110.956 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 31.9 m-85 -58.2 -44.1 87.94 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.277 0.56 . . . . 0.0 110.094 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.53 -32.47 74.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.532 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 29.5 mm-40 -73.7 -33.52 64.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 p -96.28 -70.14 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 t -100.48 -17.95 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.745 -173.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.55 -15.13 62.17 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.883 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 5.2 t -115.25 139.82 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -100.97 138.46 25.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.195 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -84.51 110.64 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.5 tp60 -79.31 -51.47 1.25 Allowed Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 9.9 Cg_endo -50.7 -52.88 8.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 123.024 2.483 . . . . 0.0 114.448 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -74.34 -28.12 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.473 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.6 mt -64.73 -31.03 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.986 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -70.41 -18.05 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 22.1 mt-10 -96.48 -53.12 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -49.68 -47.42 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 123.336 0.397 . . . . 0.0 111.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -56.02 -48.69 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -68.74 -34.68 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.491 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.4 mt -66.91 -45.09 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 120' ' ' ILE . 97.6 t -53.45 -52.33 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.002 0.429 . . . . 0.0 110.111 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -57.92 -52.38 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.355 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.22 -47.56 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.727 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -67.94 -37.83 82.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.679 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -62.75 -43.55 98.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 111.448 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.72 -24.8 67.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.714 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.501 ' O ' HG11 ' A' ' 135' ' ' VAL . . . -81.6 -9.16 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.567 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -126.06 18.81 6.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.396 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 52.2 mtt -81.6 -38.6 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -163.7 118.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.1 t70 59.96 99.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 O-C-N 124.295 0.997 . . . . 0.0 113.059 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 130' ' ' ALA . 7.1 p -168.67 20.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 57.5 m 63.95 43.7 5.13 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.689 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.146 178.043 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -101.32 -62.45 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.054 0.454 . . . . 0.0 109.961 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.6 46.1 0.91 Allowed Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.89 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.31 -17.48 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.108 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -70.99 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.968 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -67.59 99.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -89.44 153.28 20.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.39 0.614 . . . . 0.0 111.381 -175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.512 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 6.4 m -153.64 141.93 14.11 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.8 Cg_endo -56.0 -15.59 14.14 Favored 'Trans proline' 0 N--CA 1.476 0.466 0 C-N-CA 123.31 2.673 . . . . 0.0 113.721 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.536 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 8.7 m95 -100.49 3.4 42.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.833 -176.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -67.25 -24.26 65.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.139 0.495 . . . . 0.0 110.735 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.483 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.5 t30 -140.98 131.72 13.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.054 177.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 19.0 Cg_endo -63.26 -31.32 74.05 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.441 2.761 . . . . 0.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.77 88.12 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.27 -46.42 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.55 -40.64 83.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.196 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.39 -59.08 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -64.49 -35.77 82.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.42 -48.8 80.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.717 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.0 mmt -64.67 -33.17 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 111.043 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -65.91 -54.53 25.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.813 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -64.05 -31.7 72.99 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.773 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.31 -53.25 59.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.395 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 2.5 mmt -64.38 -38.08 89.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -56.78 -43.88 81.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.277 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.69 -35.97 38.94 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.827 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.83 -32.83 74.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.611 0.243 . . . . 0.0 110.836 -176.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 p -72.94 -4.13 30.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.736 0.303 . . . . 0.0 111.744 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -113.56 7.42 17.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.283 0.564 . . . . 0.0 109.842 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.598 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.1 mmt -93.0 145.0 29.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.336 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.26 130.81 9.36 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.822 2.348 . . . . 0.0 111.629 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 133.99 -41.03 1.51 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.648 176.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.87 -171.01 1.82 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 111.523 -175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 12.1 t -152.89 169.98 21.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.36 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.257 0.348 . . . . 0.0 111.48 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 t -61.77 -43.47 98.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.79 -31.67 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 34' ' ' THR . 95.2 mt -68.17 -39.56 82.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.693 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.95 -47.8 79.83 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.343 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.051 178.424 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.9 ttm -61.7 -43.02 99.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 39.2 t -61.07 -42.54 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.341 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -61.61 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.243 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.8 mm -64.94 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.67 -36.34 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.665 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.2 mm-40 -64.4 -41.74 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.1 p -67.62 -25.2 65.63 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.555 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 52' ' ' ILE . 53.8 mtp -75.09 -50.85 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.235 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 57.9 t -60.41 -44.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -65.88 -27.09 67.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.797 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.7 m -76.45 -37.1 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.231 0.538 . . . . 0.0 110.135 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 48' ' ' MET . 62.9 mt -71.97 -29.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.317 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 12.5 mm100 -54.49 -41.37 69.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.149 0.499 . . . . 0.0 109.911 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -73.02 -38.26 66.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.532 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.14 -42.59 91.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.563 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.895 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.12 26.48 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.721 0.772 . . . . 0.0 108.943 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -83.63 -13.35 54.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.799 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.39 41.32 96.56 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 23.9 8.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.086 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.9 58.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.559 0.695 . . . . 0.0 110.726 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.9 t -80.76 146.95 61.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.692 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.2 -24.59 11.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.167 2.578 . . . . 0.0 113.041 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 t-20 -68.68 -24.29 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.935 0.397 . . . . 0.0 111.389 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.2 mptt -81.77 -33.96 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 7.0 mp -77.7 -27.26 50.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.07 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -66.13 -33.4 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.371 0.605 . . . . 0.0 109.878 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.74 63.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.116 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.6 mt -74.14 -3.45 29.77 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.962 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -88.81 -61.09 1.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.0 mtm -62.52 -50.27 72.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.605 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.97 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.336 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -59.99 -44.28 94.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.209 0.528 . . . . 0.0 109.837 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.388 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.9 p -71.14 -36.81 72.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.9 m -63.52 -38.09 89.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.851 0.357 . . . . 0.0 110.938 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -71.4 -32.88 68.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.852 0.358 . . . . 0.0 110.19 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.56 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.016 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 75' ' ' SER . 43.6 mt-10 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.586 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.24 -44.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.77 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.29 67.85 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.328 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HA ' ' CE ' ' A' ' 132' ' ' MET . . . -61.93 -18.18 59.41 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.612 0.57 . . . . 0.0 111.621 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -81.6 82.65 7.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 170.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.505 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 14.5 pt-20 -62.04 -7.43 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.483 -168.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.52 153.92 29.2 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.53 -93.8 0.16 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.845 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.45 30.51 0.86 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.971 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.28 160.21 9.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.248 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 m -78.71 177.64 8.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.884 0.373 . . . . 0.0 111.367 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' THR . 56.9 tp -56.31 -38.18 70.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.656 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 p -56.33 -35.44 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.871 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 m -82.76 -37.15 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.445 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' NZ ' ' HA ' ' A' ' 84' ' ' GLU . 43.8 mttt -59.57 -56.96 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.879 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.5 t -57.68 -39.39 77.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 111.836 -173.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.7 m -68.11 -34.26 76.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.906 0.384 . . . . 0.0 110.957 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.598 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 66.2 m -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.6 HG22 ' SD ' ' A' ' 101' ' ' MET . 69.6 mt -58.71 -50.21 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 0.0 110.013 176.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -60.7 -40.05 90.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.635 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -63.27 -39.45 94.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 0.0 110.043 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.73 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.652 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.6 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.5 mtp -63.63 -46.44 85.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.112 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -58.69 -49.71 76.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.338 0.59 . . . . 0.0 110.047 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.1 t30 -61.22 -41.78 97.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.507 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.38 93.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.5 -31.06 69.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.535 0.684 . . . . 0.0 109.382 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.63 -24.9 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.046 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.8 mm-40 -96.49 -15.87 21.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.559 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -93.14 -58.97 2.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.982 0.42 . . . . 0.0 111.481 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -109.72 -11.66 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.28 61.96 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.074 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.07 157.1 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.18 126.1 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.512 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 20.7 t-20 -107.49 123.79 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.488 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 28.3 tp60 -82.24 -56.96 0.51 Allowed Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.512 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 25.3 Cg_exo -61.1 -30.89 90.01 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.185 1.923 . . . . 0.0 113.995 -167.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -68.14 -30.13 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 0.0 110.069 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.55 -33.05 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.995 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.05 -46.44 84.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.382 176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' O ' HD13 ' A' ' 123' ' ' LEU . 47.5 mt-10 -58.95 -52.45 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.045 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -54.49 -53.59 29.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.627 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 4.6 p -59.33 -44.79 92.59 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -173.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -64.86 -32.72 74.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.996 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -77.94 -37.34 47.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.316 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.7 t -52.67 -61.74 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.78 0.8 . . . . 0.0 110.026 175.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 75.4 m -57.88 -37.19 73.51 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.858 -177.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -72.51 -50.47 25.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.398 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -69.35 -24.97 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.71 0.291 . . . . 0.0 111.5 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.476 0.655 . . . . 0.0 110.888 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 125' ' ' SER . 76.6 mm-40 -67.84 -21.45 65.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.037 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.39 6.98 12.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.53 -2.39 5.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.111 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 82' ' ' ALA . 77.4 mtm -130.35 -65.1 0.82 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.917 0.389 . . . . 0.0 111.604 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -69.09 169.84 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.882 -172.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.31 32.54 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.109 0.957 . . . . 0.0 111.039 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -112.98 9.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 122.124 0.964 . . . . 0.0 108.587 173.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.0 m -76.36 80.85 3.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.545 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.589 179.017 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.985 -0.446 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -67.63 -36.99 81.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.84 60.19 2.06 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.767 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -74.93 -40.9 60.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.218 0.533 . . . . 0.0 109.78 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -144.79 79.08 1.59 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.888 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -156.65 114.86 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.2 t -104.97 125.7 51.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.58 0.705 . . . . 0.0 110.684 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.444 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.2 m -153.33 139.0 11.94 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 20.3 Cg_endo -61.41 -17.67 54.79 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.839 2.359 . . . . 0.0 112.314 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -89.85 3.95 51.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.947 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -71.74 -27.18 62.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.036 0.445 . . . . 0.0 110.669 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.445 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 9.4 t30 -137.26 129.69 16.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.934 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 10.7 Cg_endo -59.53 -30.33 92.18 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 123.254 2.636 . . . . 0.0 111.825 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.98 94.27 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 tp -70.86 -39.09 73.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.686 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.34 -52.09 66.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.425 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.47 -46.56 88.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.653 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.532 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.2 m-20 -56.74 -44.22 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HA ' HG21 ' A' ' 108' ' ' THR . 50.8 t80 -59.92 -48.46 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.686 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 14.1 mmm -68.0 -39.06 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.294 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -59.93 -47.47 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.9 t -68.19 -29.47 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.569 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.8 t80 -59.03 -49.6 77.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.0 mmm -63.95 -36.34 83.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.768 -176.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.18 -31.24 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.42 -25.43 30.75 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.019 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.533 0.206 . . . . 0.0 111.243 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -67.83 -13.99 62.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.249 0.547 . . . . 0.0 110.986 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -93.83 0.5 56.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.998 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.439 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 20.5 mmt -100.54 120.93 54.74 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.671 -176.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.21 2.18 7.02 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.11 2.54 . . . . 0.0 113.05 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.43 -18.57 73.47 Favored Glycine 0 C--N 1.309 -0.948 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.575 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -126.98 175.26 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.093 0.473 . . . . 0.0 111.067 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.462 HG22 ' HG3' ' A' ' 37' ' ' GLN . 7.2 t -125.89 168.73 13.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.604 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.508 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.47 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 34' ' ' THR . 3.5 mm-40 -60.27 -41.1 92.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.372 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -37.86 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -50.13 73.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.239 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.9 m-20 -64.77 -46.15 83.35 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.459 ' SD ' ' HE2' ' A' ' 23' ' ' PHE . 46.6 ttm -58.83 -44.12 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.611 -175.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 8.2 t -61.27 -45.36 94.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.971 0.415 . . . . 0.0 110.084 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.7 m -65.87 -43.22 88.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.344 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 40' ' ' ASP . 50.9 mm -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.25 0.547 . . . . 0.0 110.137 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 48' ' ' MET . . . -57.7 -39.71 77.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.731 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 42' ' ' SER . 13.3 mm-40 -68.62 -25.06 64.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.721 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -64.09 -43.75 94.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.594 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.7 ppp? -75.93 -26.74 57.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.844 0.354 . . . . 0.0 110.132 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 45' ' ' ALA . 80.9 t -65.79 -42.35 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.438 . . . . 0.0 110.379 174.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 13.9 mm100 -68.73 -16.12 63.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -75.36 -42.69 53.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.76 -29.61 47.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CG ' ' HA ' ' A' ' 50' ' ' GLN . 82.6 mm-40 -49.18 -51.19 34.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 176.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -79.09 -36.48 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.7 -52.26 65.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.629 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.54 -11.64 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.213 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.88 -29.92 13.43 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.087 0.47 . . . . 0.0 109.862 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -89.96 -11.65 41.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 37.87 40.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.614 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -108.86 12.77 25.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -69.64 95.16 0.84 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.766 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -108.52 150.88 41.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.279 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.0 -40.67 58.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.124 2.549 . . . . 0.0 112.496 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -55.77 -43.33 76.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 32.1 mttt -70.21 -41.48 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.506 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.68 -36.67 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 1.2 tm0? -64.22 -34.3 77.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.503 . . . . 0.0 110.09 175.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -72.56 -45.85 57.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.63 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.9 mt -58.2 -32.2 68.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.2 t-20 -53.69 -53.27 54.38 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.526 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 71.9 mtm -74.6 -41.54 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.201 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 7.3 mmm180 -61.87 -41.75 98.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.586 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -58.5 -52.29 66.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.171 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.82 72.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.357 . . . . 0.0 111.666 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.9 p -73.15 -20.74 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 86.7 p -68.79 -41.72 78.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.061 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -71.12 -30.68 66.81 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.74 95.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.218 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -53.15 -43.38 66.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.334 0.588 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 82.1 mt -78.7 -46.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.256 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.9 -21.57 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -85.29 89.29 7.62 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.76 -23.8 13.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.915 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.16 -23.3 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.23 -4.94 70.05 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.404 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.1 50.36 0.01 OUTLIER Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.696 -1.24 . . . . 0.0 113.526 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.65 -98.21 0.24 Allowed Glycine 0 CA--C 1.519 0.326 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 t -76.3 160.32 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.282 0.563 . . . . 0.0 112.23 -171.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.4 tp -99.47 -36.55 9.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.995 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -67.63 -30.82 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -66.96 -30.1 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.208 0.527 . . . . 0.0 110.082 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 97' ' ' ILE . 52.1 mttp -73.14 -50.07 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.34 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.504 HG21 ' OG ' ' A' ' 125' ' ' SER . 20.2 p -62.12 -36.93 83.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.55 -177.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 m -67.2 -42.39 84.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.28 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' A' ' 30' ' ' MET . 8.0 p -72.46 -34.28 67.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.175 -176.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 101' ' ' MET . 73.3 mt -55.52 -49.74 71.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.553 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -67.97 -42.75 80.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.14 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 97' ' ' ILE . 3.4 ttp -67.69 -42.76 81.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.316 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -61.99 -46.65 88.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.307 0.575 . . . . 0.0 109.924 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.588 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.9 t30 -58.98 -38.81 79.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.944 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.58 -26.97 66.54 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.468 0.652 . . . . 0.0 109.494 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 37.4 mt -69.36 -28.98 66.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.623 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.6 mm-40 -92.72 -12.91 30.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 111.191 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 18' ' ' ASN . 10.5 p -99.68 -39.43 8.27 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -143.28 3.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.616 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.66 71.54 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.487 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -131.29 157.27 43.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -113.67 107.19 22.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.035 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.9 t-20 -87.3 81.02 8.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.404 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.2 tp60 -59.67 -47.05 98.45 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.212 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.3 Cg_exo -45.16 -51.04 8.2 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.671 2.247 . . . . 0.0 113.678 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.01 -35.82 72.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.717 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 113' ' ' ASN . 17.5 mt -62.95 -35.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.2 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.615 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 78.2 m-20 -62.68 -47.2 84.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.388 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.7 mt-10 -62.71 -53.99 46.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.809 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.54 -49.06 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.012 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.5 p -59.62 -38.18 80.62 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -66.74 -39.31 87.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 109.942 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 79.8 mt -70.41 -37.87 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.998 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 120' ' ' ILE . 47.9 t -52.46 -61.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.045 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.504 ' OG ' HG21 ' A' ' 94' ' ' THR . 29.0 m -54.07 -45.66 71.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.07 -51.59 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -66.3 -32.6 74.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.82 63.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.771 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -65.88 -34.93 79.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.383 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.9 -11.21 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.44 -17.83 27.8 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 65.2 mtt -86.29 -60.34 2.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.169 -0.515 . . . . 0.0 109.985 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -104.22 145.81 29.68 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.584 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.97 88.09 3.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.562 0.696 . . . . 0.0 110.654 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 p -100.77 7.06 9.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 122.06 0.933 . . . . 0.0 109.746 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 t -110.53 19.05 19.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.455 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.2 -179.641 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -84.79 111.44 19.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.824 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.64 26.98 10.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.791 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -66.72 -49.82 64.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -75.86 -48.06 22.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.025 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.9 p80 46.46 27.16 0.58 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.08 0.952 . . . . 0.0 112.894 177.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 m -119.86 93.05 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.343 0.592 . . . . 0.0 111.396 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.57 163.42 17.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.257 171.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.4 -14.94 42.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 121.628 1.552 . . . . 0.0 111.726 174.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -102.69 10.98 38.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -60.09 -40.19 88.72 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.219 0.533 . . . . 0.0 111.402 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -132.49 143.66 49.72 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.748 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -57.42 -43.27 53.23 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.127 2.551 . . . . 0.0 112.133 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.8 93.52 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.877 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -57.9 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.48 -46.87 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.049 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 42.6 tt0 -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -77.33 -28.99 53.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -62.44 -58.68 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.616 ' HE1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -73.86 -21.31 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.896 -177.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -59.94 -58.51 8.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 172.404 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 p -66.97 -30.54 70.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.517 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.556 ' HB3' ' HA ' ' A' ' 20' ' ' MET . 67.8 t80 -54.45 -52.13 62.81 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.307 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.064 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.01 -33.33 75.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.582 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -85.73 -35.21 11.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.029 175.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -61.51 -37.07 82.36 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.233 0.613 . . . . 0.0 110.192 -179.113 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 38' ' ' LEU . 5.6 p -71.66 -12.59 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -100.62 -0.27 37.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.048 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.6 mmt -92.94 133.2 29.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.908 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -70.29 115.47 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.397 2.065 . . . . 0.0 111.757 174.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.85 -53.51 0.49 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.991 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 54.0 m-85 -83.78 131.84 34.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.372 0.606 . . . . 0.0 112.32 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.536 HG21 ' HA3' ' A' ' 86' ' ' GLY . 1.5 t -84.53 158.6 20.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.569 173.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.38 70.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.707 0.289 . . . . 0.0 111.528 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -66.11 -35.16 79.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.472 HE22 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -76.27 -42.45 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 109.614 175.724 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 28' ' ' SER . 8.6 tp -57.25 -42.88 82.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.11 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.77 -43.82 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.332 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -68.74 -44.58 73.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.759 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -58.75 -40.58 84.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.978 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.62 -36.59 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.416 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -76.59 -38.8 54.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.3 mm -64.55 -38.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.046 0.45 . . . . 0.0 110.228 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.5 -32.07 64.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.177 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -64.74 -32.62 74.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 m -64.84 -40.97 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.616 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 48.6 tpp -65.63 -45.34 83.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.249 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.7 t -55.56 -50.55 65.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.28 -36.93 78.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.535 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 39.0 m -64.91 -44.61 89.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.182 0.515 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.37 -34.67 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.162 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.19 -45.89 83.34 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -67.6 -37.86 83.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.97 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 51' ' ' SER . 64.4 mt -59.07 -45.25 91.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.755 0.312 . . . . 0.0 111.499 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.32 -23.7 43.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.914 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.95 -30.32 18.89 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.419 0.628 . . . . 0.0 109.479 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.548 ' HB3' HH11 ' A' ' 60' ' ' ARG . 98.8 mt-30 -94.94 -6.58 42.18 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.77 50.04 67.55 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.948 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.548 HH11 ' HB3' ' A' ' 58' ' ' GLN . 74.7 mtt85 -128.12 16.36 6.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 111.559 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -72.95 111.31 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.151 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 65' ' ' LYS . 7.8 m -128.66 153.24 79.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.826 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.63 -41.39 74.27 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.139 2.559 . . . . 0.0 113.015 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -65.45 -35.99 82.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.086 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 24.3 mttp -64.19 -46.45 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.195 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.9 mt -69.0 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.909 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.18 -32.18 68.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 68.7 mt -63.06 -31.86 73.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' A' ' 119' ' ' GLU . 31.9 t-20 -55.21 -58.65 6.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.91 -43.05 99.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.51 -45.24 94.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.2 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.54 -47.07 86.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 123' ' ' LEU . . . -62.06 -55.24 31.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.579 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 16.1 p -61.44 -42.11 98.25 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 p -62.24 -39.59 93.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.651 0.262 . . . . 0.0 111.145 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.7 mtm -71.22 -37.65 72.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 110.183 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.07 92.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.498 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 75' ' ' SER . 50.2 mt-10 -56.0 -44.86 79.03 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.026 0.441 . . . . 0.0 110.934 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -62.9 -49.86 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -28.24 69.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.585 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.71 -25.1 30.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -54.89 -61.22 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.359 0.599 . . . . 0.0 111.824 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' HB2' HE22 ' A' ' 37' ' ' GLN . 42.3 mt-10 -143.84 176.5 9.21 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.219 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.43 -60.26 1.7 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.316 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.536 ' HA3' HG21 ' A' ' 34' ' ' THR . . . 64.7 32.66 84.93 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.279 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.65 -29.24 5.93 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.998 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.92 135.64 6.84 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.517 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 24.2 t -76.27 172.66 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 111.09 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -35.59 80.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -174.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.6 m -52.19 -31.33 31.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.588 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.3 m -91.0 -33.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.031 0.443 . . . . 0.0 110.78 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.4 mtmm -75.9 -31.66 59.29 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -63.58 -24.88 67.99 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.321 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -87.71 -38.11 16.11 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.766 0.317 . . . . 0.0 111.312 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -64.5 -32.7 74.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.703 -176.409 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.522 HG22 ' SD ' ' A' ' 101' ' ' MET . 71.8 mt -59.05 -52.79 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.476 176.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.04 72.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.554 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -71.29 -40.31 70.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.46 74.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.768 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.522 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.3 mtp -63.87 -41.73 97.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.0 m -61.14 -44.85 96.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.479 0.656 . . . . 0.0 110.024 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.654 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -68.21 -35.01 77.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.704 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.95 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 3.4 t80 -65.83 -30.96 71.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 109.463 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.51 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 9.7 tp -63.63 -22.74 67.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.131 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 58.2 mm-40 -96.89 -28.2 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.687 0.279 . . . . 0.0 111.375 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 p -81.63 -54.15 5.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.015 0.436 . . . . 0.0 111.678 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -115.46 -7.88 12.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 80.59 15.26 78.41 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.758 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.6 t -128.41 155.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.1 114.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.445 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 18.1 t-20 -90.12 90.34 8.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.638 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 22.2 tp60 -65.48 -45.61 68.85 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.491 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.3 Cg_endo -44.82 -47.33 11.84 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.335 2.69 . . . . 0.0 113.843 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.417 ' HB2' ' OD1' ' A' ' 113' ' ' ASN . 7.3 t80 -71.95 -33.95 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 110.457 -173.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.18 -35.06 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 7.8 m120 -61.89 -31.37 71.66 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.425 ' O ' HD22 ' A' ' 123' ' ' LEU . 45.9 mt-10 -75.95 -54.06 7.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -177.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.9 -45.64 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -57.03 -33.51 67.27 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 12.2 mm100 -67.96 -45.55 73.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 74' ' ' ALA . 1.3 mm? -72.04 -30.17 64.91 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.706 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.3 t -60.29 -55.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.182 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.1 t -58.17 -39.38 78.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.527 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.9 mtp -66.05 -66.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.916 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 42.7 m-85 -67.11 -27.23 67.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.246 -170.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.1 -58.62 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.153 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.55 -29.14 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.259 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.35 -8.51 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 111.224 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -103.37 -3.69 47.32 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.0 mtt -99.29 -78.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.256 0.551 . . . . 0.0 110.505 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -174.91 -171.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.819 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.7 t70 63.0 27.86 16.06 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.931 0.872 . . . . 0.0 110.042 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.4 p -94.82 -14.61 7.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.292 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.6 m -91.42 84.25 5.54 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.969 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.789 179.605 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 m -112.76 25.38 11.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.899 0.381 . . . . 0.0 110.748 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.42 79.0 1.1 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -139.49 19.05 2.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.994 0.426 . . . . 0.0 110.403 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -114.94 120.31 39.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.261 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -76.51 119.71 20.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -133.12 176.19 8.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 111.999 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m -108.23 141.79 23.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.228 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 14.5 Cg_endo -56.27 -23.57 46.54 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.293 2.662 . . . . 0.0 113.676 -176.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.466 ' HB2' HD22 ' A' ' 66' ' ' LEU . 6.8 m95 -94.88 14.97 19.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.354 -0.216 . . . . 0.0 111.404 -173.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -69.92 -44.02 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 111.665 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -130.84 144.46 53.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.573 0.225 . . . . 0.0 110.869 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 56' ' ' ALA . 51.8 Cg_exo -57.3 -35.46 98.88 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.033 2.489 . . . . 0.0 111.475 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.95 8.76 13.91 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.39 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.93 -57.76 1.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -44.34 -55.47 4.93 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.53 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' HG11 ' A' ' 49' ' ' VAL . 10.0 tp10 -68.21 -44.68 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.221 -175.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.16 -36.23 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.752 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -57.54 -46.51 83.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 24.5 mmt -64.79 -38.89 92.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.093 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.604 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 11.6 m-80 -62.49 -53.12 59.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -65.5 -33.08 75.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.847 0.355 . . . . 0.0 110.784 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 20' ' ' MET . 53.0 t80 -55.13 -55.63 28.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.398 174.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.05 -31.06 70.45 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.523 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.604 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.7 mt-30 -60.98 -41.78 97.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.241 0.543 . . . . 0.0 110.149 175.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.74 -40.4 26.58 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.842 177.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.74 -38.98 93.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.494 0.188 . . . . 0.0 111.459 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 p -67.44 -12.88 61.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 m -100.31 -0.36 38.58 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.373 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 19.6 mmt -94.85 127.27 43.85 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.69 120.69 7.07 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.248 1.965 . . . . 0.0 111.585 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.19 -31.74 0.72 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.642 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -102.39 -169.14 1.63 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 38' ' ' LEU . 15.3 t -148.05 169.23 20.4 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -38.85 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -63.16 -43.39 98.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.241 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 80' ' ' ILE . 2.3 mp0 -66.82 -42.17 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 34' ' ' THR . 7.3 mp -58.99 -44.7 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.755 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.08 -52.82 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.538 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.563 ' O ' HG12 ' A' ' 44' ' ' ILE . 18.4 m-20 -66.32 -46.48 76.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.699 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 77' ' ' MET . 52.6 tpp -58.24 -41.41 84.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.988 0.423 . . . . 0.0 110.95 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.1 t -67.34 -38.94 85.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.196 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.4 m -69.72 -41.19 75.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.961 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 40' ' ' ASP . 48.8 mm -63.7 -31.4 52.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.454 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.06 -64.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.431 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 2.5 mp0 -51.4 -36.77 44.98 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.657 174.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.28 -40.28 93.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.591 0.234 . . . . 0.0 111.187 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 3.9 ppp? -80.72 -29.49 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 45' ' ' ALA . 83.3 t -67.5 -26.19 35.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.724 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 79.2 mm-40 -58.39 -36.2 73.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.354 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 p -78.92 -22.55 45.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 49' ' ' VAL . 11.5 mm -68.15 -40.42 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -50.12 -48.9 53.28 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 m -73.64 -36.24 65.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.931 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.02 -48.73 79.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.65 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . . . -82.71 -6.15 59.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.584 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.97 -33.59 14.79 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -80.64 -24.09 39.25 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 43.5 28.58 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.573 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 97.3 mtt180 -118.0 11.41 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.718 0.294 . . . . 0.0 111.762 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 p -69.49 105.34 2.59 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.249 0.547 . . . . 0.0 111.499 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.583 ' OG ' ' HG3' ' A' ' 65' ' ' LYS . 37.6 p -121.86 156.12 59.64 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.041 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 47.1 Cg_exo -56.53 -33.35 92.52 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.377 2.051 . . . . 0.0 111.657 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -61.86 -47.23 85.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.189 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.583 ' HG3' ' OG ' ' A' ' 62' ' ' SER . 32.2 mttm -65.03 -52.13 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.213 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 62' ' ' SER . 39.8 mt -65.45 -25.8 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER -53.93 -44.11 70.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.267 175.198 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.168 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.16 -28.98 69.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.63 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.293 0.568 . . . . 0.0 110.682 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.2 mtm -69.49 -40.87 76.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -56.33 -46.28 79.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.599 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.97 -46.27 89.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' A' ' 120' ' ' ILE . . . -63.47 -48.07 79.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.057 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 13.5 p -73.21 -35.17 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.431 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 12.1 p -63.52 -39.62 94.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.429 ' HG2' ' SD ' ' A' ' 41' ' ' MET . 69.8 mtm -66.19 -37.89 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.184 175.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.32 89.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.599 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.5 mt-10 -58.79 -37.79 77.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.279 0.562 . . . . 0.0 110.551 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 37' ' ' GLN . 94.0 mt -80.52 -45.9 21.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.86 -14.0 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.961 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.61 -22.16 66.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.006 0.432 . . . . 0.0 111.209 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.2 t -83.21 86.36 7.05 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.941 0.877 . . . . 0.0 109.512 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.17 -11.26 60.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.607 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.13 -52.44 43.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.662 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 34' ' ' THR . . . -87.27 96.9 2.22 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.134 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.14 -127.32 8.17 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.126 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.06 -166.79 14.26 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.307 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.93 159.59 22.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 0.0 111.853 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 93' ' ' LYS . 2.8 tm? -65.34 -34.38 78.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -54.89 -33.84 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.217 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -76.43 -44.17 36.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.003 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HB2' HD22 ' A' ' 90' ' ' LEU . 58.2 mttp -61.42 -53.95 49.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.087 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.8 t -58.59 -38.63 78.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.8 m -66.5 -34.44 77.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.123 0.487 . . . . 0.0 110.55 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 51.0 m -67.14 -40.96 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.696 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.576 HG22 ' SD ' ' A' ' 101' ' ' MET . 70.6 mt -58.3 -49.49 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.08 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.933 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -71.26 -35.37 71.37 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.54 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.578 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.576 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.2 mtp -68.22 -44.77 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.78 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -60.49 -47.6 85.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.883 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.6 t30 -61.28 -34.09 74.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.278 177.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.5 -47.43 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.525 0.202 . . . . 0.0 111.451 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.15 -37.41 77.21 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.282 0.563 . . . . 0.0 110.202 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.68 -27.34 67.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.337 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -93.79 -32.98 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.125 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -85.56 -39.36 17.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.646 -173.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.9 p -116.61 -32.3 5.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.54 -6.61 68.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.0 t -122.24 148.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.15 105.22 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.707 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -81.08 94.07 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.394 0.616 . . . . 0.0 109.555 177.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -75.36 -47.99 4.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -44.74 -48.8 10.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.781 2.321 . . . . 0.0 114.163 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.479 ' O ' HD13 ' A' ' 120' ' ' ILE . 90.8 m-85 -71.99 -26.51 62.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.871 -174.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 mt -67.68 -35.16 71.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.022 0.439 . . . . 0.0 110.398 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.18 -30.96 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.77 -52.05 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.817 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -58.97 -49.09 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -54.32 -48.44 71.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.19 -37.09 85.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.42 -42.8 67.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.585 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.4 t -55.59 -55.97 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.671 0.272 . . . . 0.0 110.764 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 t -57.96 -46.11 85.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.778 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.08 -52.37 49.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.545 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.436 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 25.1 m-85 -67.47 -31.0 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.585 -176.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -68.99 -52.13 32.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.738 0.304 . . . . 0.0 111.007 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.06 -34.12 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.333 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.5 -11.88 60.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 0.0 111.148 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -105.42 2.69 39.85 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 66.5 mtt -92.0 -78.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -80.14 -58.61 3.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.537 -175.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -170.97 166.64 7.47 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.586 -1.188 . . . . 0.0 107.907 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.0 p -82.64 7.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.933 0.873 . . . . 0.0 110.586 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.2 m -83.26 48.63 1.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.605 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.591 -0.719 . . . . 0.0 110.691 -178.556 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.449 ' HB2' ' OD1' ' A' ' 4' ' ' ASN . 8.8 p -73.46 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.017 0.437 . . . . 0.0 110.22 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.44 22.68 72.45 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.645 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' OD1' ' HB2' ' A' ' 2' ' ' SER . 14.9 m120 -85.22 -42.0 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.97 0.414 . . . . 0.0 110.106 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -160.53 -167.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.375 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.86 178.34 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -76.45 99.36 4.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.237 0.542 . . . . 0.0 112.242 -174.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.3 m -149.02 139.91 13.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 12.3 Cg_endo -55.28 -26.08 50.36 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 122.715 2.277 . . . . 0.0 113.44 -175.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.451 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 5.8 m95 -111.29 17.11 20.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.448 -174.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 8' ' ' THR . 4.6 t -77.22 -30.08 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.971 0.415 . . . . 0.0 111.331 -174.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -131.72 138.47 32.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.641 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 60.0 Cg_exo -53.65 -49.65 16.52 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.009 2.473 . . . . 0.0 111.705 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.07 74.29 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.658 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -71.24 -46.47 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.58 94.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 110.036 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.63 -50.51 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.766 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.523 ' HB3' HG22 ' A' ' 108' ' ' THR . 19.4 m-80 -70.18 -35.94 74.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.28 -51.94 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.62 -38.34 90.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.169 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.05 -60.65 2.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 174.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -66.5 -33.46 75.74 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.249 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 86.6 t80 -60.42 -53.7 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.752 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.498 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 2.2 mmt -66.83 -41.21 87.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.191 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.35 -29.99 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.335 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -84.17 -38.92 9.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.049 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.88 -35.64 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.962 0.505 . . . . 0.0 110.926 -177.112 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -65.97 -19.33 65.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.016 0.436 . . . . 0.0 111.621 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -99.9 3.68 44.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.384 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.1 mmt -98.12 136.92 20.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.781 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.61 141.41 31.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.359 2.039 . . . . 0.0 111.635 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.5 -28.65 3.1 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.809 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.57 -168.88 1.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.037 0.446 . . . . 0.0 111.689 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.591 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 14.7 t -152.4 175.07 13.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.133 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.02 77.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.553 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t -62.96 -40.59 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.468 . . . . 0.0 110.388 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.8 mp0 -75.22 -34.19 61.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 34' ' ' THR . 85.8 mt -66.79 -34.75 78.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 110.304 177.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.55 -39.86 94.98 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.61 -44.56 70.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.471 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 25.9 mmt -47.43 -52.63 16.38 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.266 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 56.5 m -60.97 -37.52 82.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.9 m -68.78 -42.72 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.918 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.5 mm -63.86 -40.82 90.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.46 -44.73 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.12 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.7 mm-40 -60.85 -41.0 94.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 t -60.77 -44.1 97.2 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.592 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -85.15 -30.4 24.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.902 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 40.8 t -65.79 -41.49 90.34 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.595 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -60.51 -32.88 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.858 0.361 . . . . 0.0 111.072 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.3 m -65.94 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.347 0.594 . . . . 0.0 109.857 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.61 -35.88 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.864 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.8 mm100 -55.83 -46.13 78.21 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.137 0.494 . . . . 0.0 109.722 174.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -68.52 -43.44 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.18 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 51' ' ' SER . 65.5 mt -51.58 -53.72 35.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.06 9.05 13.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.43 -33.88 6.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.89 -32.35 23.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.391 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.74 38.76 5.43 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -120.48 22.26 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.202 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -78.44 76.06 4.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.456 0.646 . . . . 0.0 110.359 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -101.26 147.08 33.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.349 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.53 -29.77 33.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.893 2.395 . . . . 0.0 112.438 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.28 -39.77 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.743 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.56 -49.92 60.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.48 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -64.51 -25.09 67.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.727 -174.439 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.0 tt0 -63.19 -34.05 76.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.209 0.528 . . . . 0.0 110.283 173.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -43.39 59.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.448 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.42 -36.75 71.76 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.444 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.4 t-20 -53.11 -52.64 58.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 0.0 110.855 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -68.57 -50.85 48.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.139 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.81 -41.45 91.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.768 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -59.37 -41.95 90.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.259 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.41 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.935 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 24.2 p -72.11 -33.91 68.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 p -67.77 -47.48 69.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.595 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.447 ' SD ' HD13 ' A' ' 97' ' ' ILE . 22.2 ptp -64.6 -25.88 68.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -69.25 -38.36 78.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 75' ' ' SER . 45.8 mt-10 -63.6 -40.57 97.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.318 0.58 . . . . 0.0 110.061 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 37' ' ' GLN . 46.6 mt -68.6 -39.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.55 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.7 -22.98 63.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.166 0.507 . . . . 0.0 110.589 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.19 -0.96 24.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.1 t -91.47 100.83 13.53 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -37.14 -53.77 1.01 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.554 -1.657 . . . . 0.0 113.319 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.72 136.46 27.35 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.015 0.822 . . . . 0.0 112.587 -171.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.6 -125.47 6.15 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.336 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.57 -5.45 86.76 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.497 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.63 -79.35 1.67 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.356 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -55.95 136.74 51.67 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.365 0.603 . . . . 0.0 112.437 -171.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.7 tp -74.71 -28.84 60.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.494 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.5 m -67.07 -34.8 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -70.76 -41.37 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.236 0.541 . . . . 0.0 109.952 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -63.17 -45.49 91.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.8 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -63.47 -41.51 98.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.911 0.386 . . . . 0.0 111.542 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -71.86 -30.43 65.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 t -60.97 -55.39 33.49 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.026 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.447 HD13 ' SD ' ' A' ' 77' ' ' MET . 86.0 mt -59.14 -44.41 91.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.781 -176.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.68 -21.3 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -81.81 -34.49 30.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.53 47.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.786 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.594 ' SD ' HG12 ' A' ' 117' ' ' ILE . 24.5 ttm -60.67 -50.32 73.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.521 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.425 ' O ' HD13 ' A' ' 106' ' ' LEU . 5.4 p -59.57 -47.26 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -62.06 -34.61 76.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.557 0.217 . . . . 0.0 111.14 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 44.3 m-85 -59.0 -40.67 85.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.511 0.672 . . . . 0.0 110.079 173.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 102' ' ' SER . 7.5 mp -65.86 -30.29 70.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.244 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 28.5 mm-40 -78.6 -22.92 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.636 0.255 . . . . 0.0 111.18 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.523 HG22 ' HB3' ' A' ' 18' ' ' ASN . 7.4 p -103.08 -57.92 1.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.853 -172.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -106.04 -36.32 6.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 -172.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.57 -10.68 49.85 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.608 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 3.5 t -116.39 141.44 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.92 133.71 55.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.044 0.45 . . . . 0.0 111.03 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 117' ' ' ILE . 22.5 t-20 -96.44 103.82 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.967 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.621 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -74.66 -47.22 5.35 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.4 Cg_endo -46.51 -49.0 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.231 2.621 . . . . 0.0 114.233 -177.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.24 -35.34 76.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.617 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.594 HG12 ' SD ' ' A' ' 101' ' ' MET . 6.3 mt -63.52 -35.59 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.977 0.418 . . . . 0.0 110.341 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.73 -46.66 88.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.003 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 60.9 mt-10 -64.11 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.779 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -56.87 -54.16 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.456 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.0 p -58.73 -39.81 81.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -67.39 -40.46 85.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.761 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.7 mt -66.65 -39.52 88.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.363 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.0 t -56.99 -52.09 60.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 t -57.16 -38.69 73.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.159 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.4 ttp -79.03 -53.35 7.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.575 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.99 -29.93 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -61.22 -42.59 98.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.022 0.439 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -65.11 -29.37 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -94.07 6.45 48.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.066 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.76 0.95 12.16 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.44 -0.885 . . . . 0.0 112.673 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 62.9 mtt -81.71 -65.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.482 0.182 . . . . 0.0 111.092 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -170.3 176.67 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.301 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.5 t70 61.87 24.32 14.45 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.946 0.879 . . . . 0.0 110.665 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.9 p -113.42 -7.12 11.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.225 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 m -119.05 90.2 3.28 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.702 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.607 179.832 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m 68.8 3.76 4.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.042 0.537 . . . . 0.0 111.463 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.53 27.11 0.86 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -121.08 8.66 10.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.517 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -81.39 124.65 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -122.98 97.19 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.454 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -83.93 86.56 7.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.306 0.574 . . . . 0.0 111.212 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m -121.79 137.88 27.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.67 -19.76 67.9 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.904 2.402 . . . . 0.0 113.601 -174.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.436 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 5.8 m95 -97.89 17.03 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.325 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -75.99 -54.43 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.998 0.428 . . . . 0.0 111.264 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.78 135.43 22.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.58 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 51.5 Cg_exo -53.41 -43.04 60.88 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.968 2.445 . . . . 0.0 112.033 176.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.83 68.94 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.514 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.61 -44.09 24.78 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.493 -0.416 . . . . 0.0 110.03 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.61 84.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.834 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.29 -40.04 96.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.481 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.75 -37.66 70.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.864 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.369 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' HG2' ' A' ' 24' ' ' MET . 22.7 mmt -65.33 -40.31 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.471 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.557 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 14.1 m-20 -62.94 -48.44 78.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.763 0.316 . . . . 0.0 110.969 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -64.68 -33.43 75.93 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 83.9 t80 -57.22 -52.51 65.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.489 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 52.3 mmm -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.985 -177.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 90.2 mt-30 -60.28 -44.66 95.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.0 -36.73 51.28 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.04 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 -178.415 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -73.83 -4.49 35.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 111.456 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -99.02 2.79 46.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 110.302 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mmt -104.92 114.97 63.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.848 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.79 105.96 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.295 1.997 . . . . 0.0 112.461 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.61 -34.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.805 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 73.1 m-85 -98.72 150.83 21.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.485 HG22 ' NE2' ' A' ' 37' ' ' GLN . 15.4 t -97.12 171.6 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.753 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.34 84.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -61.9 -31.42 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.259 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.485 ' NE2' HG22 ' A' ' 34' ' ' THR . 1.1 mt-30 -77.79 -42.18 34.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.511 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 27' ' ' LEU . 93.2 mt -62.72 -37.68 87.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 178.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.78 -57.99 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.53 -44.39 97.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.96 -45.98 85.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.201 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.8 t -65.13 -42.82 93.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 110.362 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.6 m -62.75 -44.14 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.4 mm -65.95 -39.48 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.56 -39.54 73.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.285 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 42' ' ' SER . 22.6 mm-40 -68.22 -35.78 78.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.441 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 t -62.41 -41.93 99.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 109.785 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.5 mmm -57.44 -50.22 73.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.807 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 95.3 t -58.22 -48.51 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.315 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -58.46 -36.28 73.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -73.19 -37.79 66.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 109.967 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.37 -29.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -54.37 -45.7 72.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.924 0.393 . . . . 0.0 110.507 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -81.71 -26.94 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 tp -55.91 -48.97 74.7 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.885 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.82 8.98 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.572 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.57 -34.54 9.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -91.03 -4.67 56.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.387 175.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 44.99 90.17 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.386 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -115.02 9.25 15.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -64.11 105.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.538 0.685 . . . . 0.0 110.384 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -138.46 150.78 67.53 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.248 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.11 -29.76 13.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.362 2.708 . . . . 0.0 113.215 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.91 -47.03 86.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.864 0.364 . . . . 0.0 110.975 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.3 mptt -65.13 -41.66 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 109.525 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 1.5 mp -66.53 -28.19 68.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.178 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -47.94 58.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 176.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.37 -33.95 73.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 85.2 mt -83.73 10.9 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -102.41 -54.1 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.402 ' HA ' ' CD2' ' A' ' 123' ' ' LEU . 41.7 mtm -63.06 -60.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.856 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.466 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -68.86 -25.4 64.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.284 -175.505 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.99 -50.92 68.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.19 89.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.427 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.7 p -70.4 -37.88 74.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.714 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.3 mtm -68.03 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -63.02 -44.74 95.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.289 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 75' ' ' SER . 37.0 mt-10 -63.49 -29.76 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.328 0.585 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.1 -44.56 65.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.001 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -18.16 65.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.8 t -76.89 81.94 3.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.774 0.797 . . . . 0.0 110.216 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.16 -3.51 49.23 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.085 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.92 -50.49 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.449 170.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -114.9 72.85 0.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.983 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.38 -96.74 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.908 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.16 30.81 13.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.741 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -158.67 52.51 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 94' ' ' THR . 1.8 tm? -55.69 -34.3 64.94 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.691 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -54.91 -38.79 68.07 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.228 0.537 . . . . 0.0 110.756 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -77.43 -40.79 42.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 55.3 mtpt -65.44 -49.07 70.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.302 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 90' ' ' LEU . 11.0 t -63.24 -30.33 71.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.417 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -82.1 -22.35 36.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 110.677 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 10.8 t -64.48 -49.6 70.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.87 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG22 ' SD ' ' A' ' 101' ' ' MET . 73.6 mt -53.41 -48.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.316 -177.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.03 88.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.8 m -71.58 -39.36 70.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.348 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.48 ' SD ' HG22 ' A' ' 97' ' ' ILE . 15.5 mtp -63.12 -46.92 85.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.979 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -56.92 -50.13 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.303 0.573 . . . . 0.0 110.027 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.2 t30 -62.57 -42.16 99.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.425 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.34 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.697 0.284 . . . . 0.0 111.727 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 4.8 t80 -65.38 -34.83 79.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.584 0.707 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 29.8 mt -63.89 -36.27 83.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.919 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -85.9 -6.24 59.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.724 -174.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 p -106.61 -52.38 2.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.017 0.437 . . . . 0.0 110.969 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.2 p -98.56 -32.21 11.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.456 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -5.67 69.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.421 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 15.7 t -117.14 157.06 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.0 127.86 71.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.971 0.415 . . . . 0.0 110.41 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -102.18 93.65 5.33 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.558 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.1 tp60 -70.95 -49.91 12.7 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.779 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 3.2 Cg_exo -41.16 -50.41 4.33 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.482 2.788 . . . . 0.0 113.4 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -68.44 -36.27 78.79 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.181 0.515 . . . . 0.0 109.991 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.8 mt -68.0 -42.24 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.1 m-20 -61.5 -33.71 74.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.09 -44.4 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.611 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -61.55 -45.76 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.9 p -59.01 -36.35 74.79 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 15.0 mm100 -59.48 -42.51 92.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.218 0.532 . . . . 0.0 110.462 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 10.4 mp -76.39 -40.1 51.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.814 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.3 t -56.76 -62.49 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.152 0.501 . . . . 0.0 110.892 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 -20.7 62.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.116 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.2 ttp -88.32 -53.31 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 22.2 m-85 -73.96 -20.64 60.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.675 -175.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.469 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . -65.5 -44.45 86.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.408 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.01 -56.11 7.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.09 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 57.67 5.71 0.36 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.557 ' O ' ' HB ' ' A' ' 135' ' ' VAL . . . 105.57 45.6 1.3 Allowed Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.212 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.0 mtt -52.18 -42.68 63.66 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 122.865 0.466 . . . . 0.0 111.717 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.12 109.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.9 t0 61.31 63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.932 0.872 . . . . 0.0 111.313 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 131' ' ' GLY . 9.9 p -124.8 -0.91 5.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.103 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m -86.22 83.98 7.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.618 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.779 178.601 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -151.85 145.4 24.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.38 61.04 2.16 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.768 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.81 -38.89 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.051 0.453 . . . . 0.0 110.37 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -93.97 168.5 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.015 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -65.59 133.1 50.45 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -68.64 109.91 4.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.513 -172.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.445 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -121.01 138.19 27.53 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' HG22 ' A' ' 8' ' ' THR . 30.5 Cg_endo -64.13 -20.0 66.78 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.817 2.345 . . . . 0.0 113.428 -177.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -91.63 7.24 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -70.89 -62.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.457 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.8 t30 -103.29 130.73 23.05 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 121.407 0.622 . . . . 0.0 109.88 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 13.8 Cg_endo -60.33 -31.57 92.98 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.234 2.622 . . . . 0.0 111.065 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.38 -33.28 77.04 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.727 175.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.52 -49.84 44.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.98 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -58.84 -53.17 61.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.676 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.99 -31.44 72.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.71 -52.29 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.95 -35.08 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 15.0 m-80 -63.63 -52.26 61.61 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.616 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -64.77 -33.03 75.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.009 0.433 . . . . 0.0 110.579 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.6 -48.76 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.681 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.6 mmt -76.25 -11.99 60.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.237 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 98.4 mt-30 -75.76 -31.22 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.143 0.497 . . . . 0.0 109.928 174.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.74 -39.8 5.15 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.276 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -58.61 -37.94 76.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.713 0.292 . . . . 0.0 110.931 -176.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -70.49 -11.32 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.311 . . . . 0.0 111.754 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m -100.19 -0.58 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.008 0.433 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -96.55 118.78 64.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.34 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.97 123.78 10.71 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.243 1.962 . . . . 0.0 111.606 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.78 -30.13 0.92 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -111.05 141.94 43.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.724 0.297 . . . . 0.0 110.678 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 t -89.3 164.49 14.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.48 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -65.55 -57.61 7.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.504 0.193 . . . . 0.0 110.594 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.02 -35.78 75.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.732 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 27' ' ' LEU . 11.5 tp -58.51 -49.36 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.162 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -62.51 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.6 m-20 -64.81 -43.84 91.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.518 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.0 ttm -61.37 -41.34 96.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.194 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 38.0 t -62.35 -40.67 97.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.067 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -65.44 -43.56 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.005 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.8 mm -66.46 -36.21 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.313 0.578 . . . . 0.0 110.033 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -58.55 -40.33 82.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.125 174.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.0 mm-40 -67.08 -34.11 76.94 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.006 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -61.71 -44.44 96.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.873 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.0 mmm -61.14 -47.79 84.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.7 t -57.09 -52.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.004 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.55 -33.85 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 21.2 t -67.0 -37.06 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.9 mt -77.34 -30.45 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.431 . . . . 0.0 110.438 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -85.5 -32.24 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.668 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' SER . 13.4 tp -59.42 -51.15 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.082 -177.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.96 0.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.774 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.08 -33.23 8.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.41 -25.72 33.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 14.65 63.54 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -84.62 81.44 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 0.0 111.574 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -132.58 156.44 46.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.983 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.507 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 t -172.95 144.11 1.17 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.68 -43.28 46.73 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.861 2.374 . . . . 0.0 112.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -74.11 -35.59 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.155 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HG2' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -74.23 -32.3 62.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.733 -177.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.6 mm? -69.65 -34.91 74.67 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.555 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.9 tt0 -65.61 -38.9 90.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.912 173.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.82 94.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.2 -32.05 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.397 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.555 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 16.3 t-20 -59.57 -57.07 14.53 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.007 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.6 mtm -64.35 -42.19 96.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.062 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -61.66 -44.05 97.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.31 -48.03 83.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.577 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.84 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.696 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 11.3 p -66.14 -35.62 80.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.888 -176.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.627 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 66.8 mtm -70.41 -34.68 72.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.25 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.7 -34.78 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.218 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 75' ' ' SER . 51.2 mt-10 -62.74 -39.95 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.443 0.64 . . . . 0.0 110.696 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.45 -40.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.531 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.17 -20.23 64.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.876 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.27 -11.66 60.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -87.63 81.82 7.59 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.709 0.766 . . . . 0.0 109.69 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HB3' ' HA2' ' A' ' 88' ' ' GLY . 34.8 mt-10 -76.04 -2.83 32.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.827 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -49.97 -43.86 50.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.423 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.25 2.22 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.173 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.85 -59.09 2.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.371 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 84' ' ' GLU . . . 103.47 174.32 26.05 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t 72.21 112.57 0.06 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.62 -29.36 24.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.741 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 t -60.8 -31.99 71.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.139 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.4 m -82.62 -27.89 31.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 0.0 111.063 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -71.92 -35.25 69.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.48 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.5 p -62.02 -48.59 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.228 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -69.46 -27.01 64.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.886 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 t -61.71 -53.63 53.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -42.48 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.4 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.56 92.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 p -69.96 -44.12 70.14 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.285 0.564 . . . . 0.0 110.29 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.71 90.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.908 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.686 ' SD ' HG12 ' A' ' 117' ' ' ILE . 20.4 ttm -63.51 -45.26 91.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 39.5 t -58.54 -39.63 80.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.037 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.8 t30 -68.14 -38.04 81.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.861 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.87 68.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.917 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 3.3 t80 -66.54 -28.74 68.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 0.0 109.484 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 102' ' ' SER . 11.5 tp -62.01 -25.49 67.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.792 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 57.8 mm-40 -94.34 -16.83 23.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 p -97.6 -34.73 10.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.7 p -121.24 -38.21 2.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.127 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.56 -11.08 39.02 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.467 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 20.1 t -121.05 158.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.36 132.32 56.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.659 0.266 . . . . 0.0 110.883 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.05 104.07 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 109.853 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.542 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.3 tp60 -67.54 -54.97 15.85 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.568 -176.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -52.92 -40.79 74.63 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.865 2.377 . . . . 0.0 114.668 -170.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.2 -37.59 72.11 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.507 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.686 HG12 ' SD ' ' A' ' 101' ' ' MET . 4.8 mt -63.9 -37.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.422 . . . . 0.0 109.92 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.587 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 5.9 m-20 -55.02 -50.07 69.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.614 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 41.8 mt-10 -68.36 -52.17 36.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.615 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.68 -48.77 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.8 p -58.7 -43.71 90.12 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.4 mm-40 -63.81 -38.36 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 110.387 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 55.1 mt -74.63 -31.68 62.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.821 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.7 t -62.52 -50.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.437 . . . . 0.0 110.005 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -63.89 -22.49 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.541 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.1 ttm -88.22 -64.74 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.607 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.67 -16.82 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.792 -170.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.09 76.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.276 0.56 . . . . 0.0 110.484 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -78.08 2.65 17.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -104.34 -0.69 27.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.139 0.495 . . . . 0.0 110.276 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.532 ' HA2' ' OG ' ' A' ' 136' ' ' SER . . . -117.29 -12.67 8.05 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 67.0 mtt -73.19 -28.48 62.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.301 0.572 . . . . 0.0 110.677 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -107.92 157.05 18.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.937 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -74.17 86.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.861 0.839 . . . . 0.0 110.676 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.25 12.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.532 ' OG ' ' HA2' ' A' ' 131' ' ' GLY . 3.7 m -94.55 29.47 2.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.596 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.725 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -103.01 169.62 8.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.55 88.46 0.62 Allowed Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -81.49 -71.94 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -135.31 138.86 43.84 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.521 -173.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -67.14 111.37 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 171.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -57.56 130.76 47.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.805 0.812 . . . . 0.0 112.387 -170.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.7 m -106.51 143.9 27.93 Favored Pre-proline 0 N--CA 1.444 -0.734 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.12 174.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.5 Cg_endo -56.54 -16.08 17.62 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.769 2.313 . . . . 0.0 113.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -95.39 12.79 27.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.192 -175.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -71.34 -72.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.95 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 133.4 26.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.418 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.81 -46.48 31.86 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.988 2.459 . . . . 0.0 112.47 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.89 94.71 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.15 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.56 -61.02 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.99 68.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.355 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.37 -45.5 87.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.729 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.05 -31.6 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.523 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.02 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.013 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.499 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.3 OUTLIER -59.81 -37.94 80.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.423 176.573 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.2 m-20 -60.04 -53.2 60.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.164 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -69.04 -26.64 65.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.211 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 64.5 t80 -59.54 -56.21 24.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.531 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 64.0 mmm -64.03 -33.16 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.863 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.1 mt-30 -58.42 -40.34 82.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.398 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.08 -32.05 13.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -64.97 -36.43 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' HD21 ' A' ' 38' ' ' LEU . 13.7 p -67.78 -11.53 58.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 0.0 111.423 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 m -97.31 -4.59 38.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.662 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.439 ' HE1' ' HB3' ' A' ' 99' ' ' SER . 53.9 mtt -94.98 129.79 34.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-O 121.074 0.464 . . . . 0.0 111.466 -174.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.96 126.2 9.19 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.644 2.229 . . . . 0.0 111.888 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.48 -57.83 0.41 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.633 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 98.7 m-85 -87.71 148.11 24.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.626 HG22 ' HG2' ' A' ' 37' ' ' GLN . 7.8 t -94.67 168.5 10.8 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.79 65.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.256 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -60.81 -41.68 96.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 34' ' ' THR . 7.0 mm100 -69.64 -34.93 74.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.407 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 28' ' ' SER . 9.8 mp -63.2 -41.28 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.5 -45.76 89.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.978 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.1 m-20 -67.16 -44.55 79.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -63.61 -41.26 98.32 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.1 t -61.08 -41.84 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 m -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.95 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.6 mm -66.22 -38.61 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.051 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.76 -38.29 75.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.421 176.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 42' ' ' SER . 28.6 mm-40 -63.42 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.443 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 t -65.68 -40.97 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.085 0.469 . . . . 0.0 109.736 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.1 mmm -59.85 -49.4 77.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.471 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.44 -47.68 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.958 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -63.8 -31.49 72.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.608 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -66.89 -46.13 75.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 109.801 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.04 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.656 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.4 mm-40 -53.88 -45.96 71.21 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 110.058 174.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -65.91 -47.74 73.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.8 mt -57.66 -38.03 74.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.4 60.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.705 0.288 . . . . 0.0 111.645 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.7 -31.85 19.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -80.26 -15.32 57.22 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.811 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.35 45.24 48.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.973 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -124.85 14.69 8.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.77 0.319 . . . . 0.0 111.337 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.9 121.45 22.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.008 0.433 . . . . 0.0 110.758 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.5 t -153.05 152.76 28.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.757 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' OG ' ' A' ' 62' ' ' SER . 10.6 Cg_endo -54.61 -41.6 75.96 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.701 2.268 . . . . 0.0 112.479 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -78.14 -6.02 53.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.22 0.533 . . . . 0.0 110.837 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 62' ' ' SER . 2.6 tpmt? -89.99 -49.68 6.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.301 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 62' ' ' SER . 55.6 mt -68.1 -27.63 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.75 -174.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -56.77 -33.36 66.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.889 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.49 -39.15 74.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.678 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.09 -30.78 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -56.94 -55.88 28.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.045 0.45 . . . . 0.0 110.153 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.49 -44.0 97.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.288 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.23 -46.5 88.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.101 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -57.95 -48.33 80.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.03 71.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.779 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -71.03 -27.77 63.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.1 m -68.06 -41.61 81.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 0.0 110.425 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -73.4 -26.98 61.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.104 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.442 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -60.02 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.389 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.27 -26.38 67.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.301 0.572 . . . . 0.0 110.533 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.98 -42.04 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.86 -19.98 65.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.592 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 132' ' ' MET . . . -62.92 -22.91 67.09 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.912 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 15.6 t -84.98 88.02 7.41 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.803 0.811 . . . . 0.0 109.28 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.55 -20.31 63.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.646 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.46 104.67 3.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.566 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.26 2.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.364 -0.922 . . . . 0.0 113.338 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.31 -109.9 0.51 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.785 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.35 164.87 51.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.689 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p -81.34 -176.63 6.1 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.503 HD22 ' HE1' ' A' ' 132' ' ' MET . 64.4 tp -54.58 -40.7 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.532 175.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -52.53 -39.85 61.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.733 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -80.02 -38.84 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.253 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 36.9 mtmm -82.2 -39.84 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -170.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 90' ' ' LEU . 13.4 t -65.5 -32.05 73.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.966 -0.459 . . . . 0.0 111.544 -174.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 m -78.5 -27.94 46.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 110.816 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.4 t -58.89 -45.75 89.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.305 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.618 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -57.03 -46.07 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -63.5 -35.13 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.474 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.439 ' HB3' ' HE1' ' A' ' 30' ' ' MET . 32.9 t -68.47 -39.98 81.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -36.96 79.37 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.736 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.618 ' SD ' HG22 ' A' ' 97' ' ' ILE . 30.5 mtp -66.22 -47.14 74.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.512 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 t -59.41 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.144 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.629 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.1 t30 -56.8 -39.39 74.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.359 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.07 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.566 0.222 . . . . 0.0 111.081 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 26.4 m-85 -60.21 -38.34 83.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 102' ' ' SER . 60.6 mt -63.01 -28.03 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.944 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.4 mm-40 -90.81 -31.6 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.322 . . . . 0.0 111.026 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 p -89.88 -39.1 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -173.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.4 p -120.66 -37.09 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.67 -3.84 61.24 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.539 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.2 t -120.46 147.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.76 111.6 24.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 0.0 110.271 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.451 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.0 t-20 -80.87 75.46 7.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.8 tp60 -58.5 -49.18 94.91 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.865 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.1 Cg_endo -50.95 -42.89 50.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.519 2.146 . . . . 0.0 113.17 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.429 ' O ' HD13 ' A' ' 120' ' ' ILE . 66.8 m-85 -89.08 8.99 27.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.714 -177.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' ASN . 15.8 mt -103.36 -40.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 0.0 110.107 173.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 93.3 m-20 -56.51 -43.24 79.55 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.984 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 123' ' ' LEU . 31.2 mt-10 -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.35 -174.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.8 mp -61.52 -52.67 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.703 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -59.76 -43.17 94.43 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.627 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.8 mm-40 -61.6 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.513 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -75.02 -38.84 61.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.644 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 120' ' ' ILE . 72.4 t -57.24 -56.49 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.671 0.272 . . . . 0.0 110.351 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -59.71 -36.26 76.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.876 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -73.38 -53.68 10.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.421 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.34 -26.03 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 132' ' ' MET . . . -63.57 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.24 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.51 ' HA ' ' HG2' ' A' ' 132' ' ' MET . 78.0 mt-30 -67.92 -17.09 64.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.199 -176.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.28 -0.09 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.273 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.1 -24.4 3.58 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.23 -0.986 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 129' ' ' GLN . 19.6 ptp -83.64 -28.03 28.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.085 -0.558 . . . . 0.0 110.41 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -145.03 163.45 34.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.403 175.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.81 96.12 8.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.567 0.698 . . . . 0.0 110.9 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.58 27.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.585 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -84.19 11.21 8.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.792 -173.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.291 178.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -61.87 147.18 47.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.939 0.399 . . . . 0.0 111.11 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.09 -75.18 0.18 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -177.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -150.95 -9.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 0.0 110.726 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -68.11 112.49 5.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.901 0.381 . . . . 0.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -124.57 121.6 35.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -74.34 104.06 4.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.252 0.549 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.4 m -132.9 138.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.427 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 34.2 Cg_endo -65.73 -11.07 29.05 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.018 2.479 . . . . 0.0 113.961 -175.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -105.38 12.99 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.427 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -72.82 -46.77 51.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.005 0.431 . . . . 0.0 111.583 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -126.46 139.71 35.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.605 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.61 -41.61 67.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.975 2.45 . . . . 0.0 112.468 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.16 92.14 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.082 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 52.2 tp -62.52 -40.63 97.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.01 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.943 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 18' ' ' ASN . 1.5 pt-20 -66.34 -38.49 87.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.125 -177.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.502 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 40.2 m-80 -71.28 -32.79 69.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.737 0.303 . . . . 0.0 110.701 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.06 -50.98 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.18 -40.16 96.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.82 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -53.3 -60.68 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 176.296 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -67.03 -27.01 67.05 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.088 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.7 t80 -58.65 -48.42 81.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.118 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.494 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 0.7 OUTLIER -68.0 -37.5 81.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.902 -179.339 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 13.9 mm100 -56.61 -37.26 70.43 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.537 0.523 . . . . 0.0 110.987 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -31.38 12.44 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.297 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.87 -32.57 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.269 . . . . 0.0 110.738 -177.232 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -71.25 -15.53 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -92.53 -3.47 55.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.063 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -91.24 128.13 48.47 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.65 -0.95 11.0 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 122.86 2.374 . . . . 0.0 112.116 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.14 -26.2 66.94 Favored Glycine 0 C--N 1.312 -0.761 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.909 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -130.49 153.7 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 0.0 111.041 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 11.7 t -100.18 172.68 7.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.918 178.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.68 79.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 t -63.63 -35.78 81.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.607 . . . . 0.0 110.305 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 41' ' ' MET . 63.4 mt-30 -77.21 -29.25 54.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.362 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 34' ' ' THR . 82.2 mt -64.82 -42.78 94.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.197 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.8 -36.6 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.814 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -69.09 -46.06 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 26.1 mmt -50.36 -50.7 50.54 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.987 174.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.2 m -60.11 -39.07 84.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.9 m -66.75 -40.13 88.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.764 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.9 mm -65.58 -41.79 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 0.0 109.766 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -55.26 -41.32 72.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.546 176.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 42' ' ' SER . 23.5 mm-40 -62.79 -36.2 82.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -61.32 -38.89 88.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.9 mtp -75.94 -48.72 20.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 98.1 t -56.67 -47.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.526 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.45 -37.36 83.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 30.8 m -72.86 -36.83 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.997 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -69.36 -29.26 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.778 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.5 mm-40 -57.58 -45.23 85.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.271 0.558 . . . . 0.0 109.714 174.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -68.52 -38.84 81.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 51' ' ' SER . 87.1 mt -61.37 -35.62 77.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.688 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.96 -18.02 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.87 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.61 -39.62 8.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.214 0.53 . . . . 0.0 109.648 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -74.29 -29.01 61.45 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.93 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.21 40.21 34.73 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.302 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -124.55 21.45 8.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.731 -0.234 . . . . 0.0 111.123 -175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 1.2 m -53.18 -57.3 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.571 0.544 . . . . 0.0 110.5 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.547 ' O ' HD22 ' A' ' 66' ' ' LEU . 96.9 p 50.4 165.28 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 124.454 1.101 . . . . 0.0 113.253 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.43 -11.9 22.69 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.679 1.586 . . . . 0.0 110.677 170.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -70.78 -51.33 27.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 61' ' ' THR . 14.1 mptt -61.86 -44.16 97.38 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 109.855 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -61.57 -30.01 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.047 -178.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.11 -48.88 49.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.212 173.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.0 79.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.161 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.5 mt -76.38 -2.94 34.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.65 -44.24 13.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mtm -79.85 -55.2 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.576 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.21 -34.97 75.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.871 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -58.87 -53.21 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.958 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.97 82.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.694 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 p -69.28 -26.12 64.59 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -65.06 -45.47 85.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.575 0.226 . . . . 0.0 110.827 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.405 ' HE2' ' HB2' ' A' ' 77' ' ' MET . 3.8 mpp? -70.74 -31.03 67.72 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.231 175.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.69 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.88 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.03 -50.05 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.05 -46.09 94.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.82 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 93' ' ' LYS . . . -67.98 -37.34 81.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.396 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 -2.77 46.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.01 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -72.88 -20.72 61.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 56.25 91.38 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.148 -175.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -158.1 151.65 23.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.99 -70.14 2.97 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.991 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.26 168.53 23.27 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.16 126.23 0.49 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.567 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -78.92 -176.98 5.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.897 0.379 . . . . 0.0 110.429 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.41 -30.5 71.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.353 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -62.52 -30.95 71.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.77 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -82.68 -44.63 15.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.249 0.547 . . . . 0.0 110.257 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.481 ' HD3' ' HB1' ' A' ' 81' ' ' ALA . 44.5 mttp -64.06 -41.21 97.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.552 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 p -59.83 -50.97 71.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.641 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -63.72 -33.91 76.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.0 m -59.44 -47.13 86.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.591 HG22 ' SD ' ' A' ' 101' ' ' MET . 56.6 mt -63.63 -51.64 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -61.41 -36.31 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.948 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 t -66.12 -40.84 91.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.61 -35.75 73.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.602 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.591 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.1 mtp -65.25 -46.88 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.199 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 36.4 t -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.986 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.638 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 20.0 t30 -62.31 -40.23 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.4 77.11 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 2.5 t80 -66.3 -30.33 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.613 0.72 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 102' ' ' SER . 10.1 tp -63.78 -29.38 70.59 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.201 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 59.5 mm-40 -91.59 -17.97 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 15' ' ' LEU . 4.2 p -94.13 -61.54 1.51 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.937 -173.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 t -108.56 -4.69 16.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.964 0.412 . . . . 0.0 110.912 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.06 2.97 90.71 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.381 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.69 153.7 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.7 t -101.29 110.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.489 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.499 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.3 t-20 -85.19 80.88 9.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.43 0.634 . . . . 0.0 109.476 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.61 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 6.9 tp-100 -65.82 -44.53 63.25 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.783 -177.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -47.34 -49.56 12.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.724 2.283 . . . . 0.0 113.224 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.77 -32.18 71.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 113' ' ' ASN . 33.1 mt -64.53 -36.89 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -67.89 -29.45 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.457 ' O ' HD13 ' A' ' 123' ' ' LEU . 38.5 mt-10 -70.27 -53.2 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.264 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -58.39 -50.39 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.523 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 7.5 p -55.91 -47.39 77.56 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -64.67 -41.02 96.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -68.6 -38.06 80.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.274 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 120' ' ' ILE . 76.6 t -55.45 -53.46 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.029 0.443 . . . . 0.0 110.02 176.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 t -62.98 -48.28 79.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.818 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.544 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -72.21 -26.53 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -68.33 -53.49 23.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -62.96 -32.02 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.282 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.65 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.212 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -102.25 -28.07 6.61 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 66.6 mtt -65.44 -39.69 92.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -123.22 136.11 54.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.397 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.34 83.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 110.295 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.9 p -114.78 4.51 7.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.181 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.4 m 57.27 31.83 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.422 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 -178.192 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 120.831 0.348 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.09 -8.97 24.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.318 2.012 . . . . 0.0 111.847 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.533 ' HB2' HD22 ' A' ' 66' ' ' LEU . 5.4 m95 -94.48 3.11 55.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.637 -176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -70.9 -26.07 63.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.908 0.385 . . . . 0.0 111.014 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.509 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 14.4 t30 -130.95 130.32 22.79 Favored Pre-proline 0 CA--C 1.512 -0.482 0 CA-C-O 121.261 0.553 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 18.5 Cg_endo -61.7 -37.04 71.38 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 123.389 2.726 . . . . 0.0 111.042 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.78 -38.4 95.88 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.579 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 37.4 tp -73.19 -45.91 53.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.447 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.76 89.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.703 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.74 -44.93 96.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' HB3' HG22 ' A' ' 108' ' ' THR . 35.8 m-80 -69.69 -32.1 70.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.85 -52.16 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.472 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.8 OUTLIER -62.17 -35.52 79.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.215 177.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.8 m-80 -60.49 -52.45 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.798 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -69.92 -32.55 70.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.388 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.7 t80 -55.76 -55.43 32.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.208 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.565 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 48.0 mmm -65.19 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.631 -175.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.2 mt-30 -61.91 -37.05 83.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.89 -36.19 9.37 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.09 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 23' ' ' PHE . 11.5 tp -67.64 -31.19 71.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 p -61.44 -25.88 67.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 111.248 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -101.13 6.69 43.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.563 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 20.8 mmt -83.79 138.27 40.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.66 149.25 33.83 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.787 2.324 . . . . 0.0 111.849 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.09 -32.26 5.87 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.718 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -105.85 -169.47 1.59 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.786 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.4 t -152.23 171.75 17.47 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.43 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.176 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -61.5 -46.26 90.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.16 -46.45 87.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 110.043 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.3 mt -61.31 -42.09 98.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.218 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.52 -47.28 86.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.96 -39.51 89.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.2 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.164 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.1 m -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.912 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.4 mm -66.25 -36.26 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.191 0.52 . . . . 0.0 110.112 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.76 -34.47 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.597 175.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.09 -39.36 89.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.104 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -65.0 -35.27 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 109.747 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.8 mmm -59.86 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.287 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.5 t -62.86 -46.57 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.008 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.35 -37.17 64.61 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -65.64 -42.1 91.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.029 0.442 . . . . 0.0 109.993 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.63 -40.0 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.769 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 13.1 mm100 -56.7 -36.55 69.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.118 0.485 . . . . 0.0 109.962 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -75.07 -44.73 45.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.68 -43.85 85.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.737 0.303 . . . . 0.0 111.185 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.08 -20.15 59.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.821 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.95 -29.93 15.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.64 -177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -89.32 -7.46 55.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.621 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.14 43.81 88.88 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.263 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -128.45 22.76 5.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.647 0.26 . . . . 0.0 111.444 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 m -77.75 68.78 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.349 0.595 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -90.92 155.55 45.03 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.944 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -52.45 -40.53 71.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.863 2.375 . . . . 0.0 113.007 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -67.74 -24.56 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' O ' HD23 ' A' ' 69' ' ' LEU . 12.4 mptt -71.23 -50.69 30.29 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 10' ' ' TRP . 59.9 mt -61.31 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.379 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -57.96 -39.01 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.524 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.51 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 65' ' ' LYS . 4.1 mm? -56.05 -35.68 67.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.904 177.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.97 -52.18 61.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 0.0 110.939 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -71.63 -47.25 55.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.779 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -65.68 -39.83 91.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.202 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -58.03 -47.7 82.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.991 0.425 . . . . 0.0 110.705 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.4 87.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.547 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 12.0 p -70.77 -33.55 70.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -175.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.9 m -58.79 -42.11 88.26 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.125 0.488 . . . . 0.0 110.734 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.6 mtm -73.56 -31.88 63.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.223 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.51 89.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.561 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' SER . 46.9 mt-10 -55.46 -40.37 71.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.372 0.606 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 92.4 mt -71.99 -51.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.127 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.04 -32.29 69.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.321 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.092 -176.498 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.237 0.441 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.52 -29.65 69.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.059 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -56.93 -46.9 81.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.117 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.7 m -70.16 -37.89 75.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.46 -54.13 49.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.354 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.1 p -62.75 -38.75 91.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.9 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -66.24 -32.49 73.94 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 58.8 m -70.35 -41.73 72.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.612 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.579 HG22 ' SD ' ' A' ' 101' ' ' MET . 67.7 mt -57.7 -49.37 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 0.0 110.636 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.41 73.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.074 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -69.5 -40.53 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.86 -37.41 73.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.579 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.9 mtp -62.25 -49.05 77.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.819 0.342 . . . . 0.0 111.344 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 p -67.55 -38.32 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.565 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.6 t30 -68.89 -40.77 79.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.064 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.42 93.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.865 0.364 . . . . 0.0 111.295 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.445 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 3.3 t80 -66.87 -32.96 74.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.538 0.685 . . . . 0.0 109.245 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 106' ' ' LEU . 10.5 tp -60.9 -30.03 69.93 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.791 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.6 mm-40 -92.75 -27.92 16.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 111.124 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.2 p -81.11 -46.12 15.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -120.89 -23.32 5.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 103.5 -10.74 53.84 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.337 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.05 155.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.14 125.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.645 0.26 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -86.15 113.72 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.6 tp60 -82.32 -56.59 0.52 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.1 Cg_endo -53.98 -42.67 64.83 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.68 2.253 . . . . 0.0 113.468 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.43 -32.47 72.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.13 0.49 . . . . 0.0 110.165 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.38 -37.41 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 90.8 m-20 -62.61 -40.3 96.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 47.4 mt-10 -66.83 -57.61 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -51.65 -49.97 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.9 p -57.46 -40.47 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -73.03 -36.56 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.617 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.01 -42.25 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.947 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.0 t -53.01 -58.23 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.808 0.813 . . . . 0.0 109.621 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.6 m -59.85 -31.62 69.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.8 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.4 ttp -78.17 -51.91 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -68.1 -27.42 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.68 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.23 96.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 111.411 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 -178.399 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.6 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 74.5 Cg_endo -77.75 -9.75 17.02 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.405 2.07 . . . . 0.0 112.608 178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 -5.28 25.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.59 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.73 -9.38 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -138.26 135.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.168 0.509 . . . . 0.0 109.936 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.65 -38.67 30.65 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 C-N-CA 123.018 2.479 . . . . 0.0 111.503 -176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.78 -35.01 89.06 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.933 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 tp -70.18 -40.43 74.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.79 75.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.663 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.79 -34.68 75.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.291 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -72.87 -36.06 67.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.99 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.77 -48.45 80.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.114 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.5 mmt -64.11 -36.19 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -61.97 -53.2 59.0 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.579 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 t -66.69 -34.16 77.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.154 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.91 -49.87 75.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.749 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.0 mmt -64.19 -37.99 89.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.784 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.61 -36.76 85.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.298 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.56 -36.39 33.79 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.871 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.5 -29.49 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 111.434 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -70.43 -12.3 61.49 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 110.646 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -93.47 1.74 56.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.149 0.499 . . . . 0.0 109.855 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.5 mmt -102.1 114.9 65.32 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.319 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.83 -1.96 8.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.096 2.531 . . . . 0.0 112.768 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.44 -27.95 73.5 Favored Glycine 0 C--N 1.313 -0.713 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.896 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -118.32 164.2 15.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 110.919 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.506 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -113.3 169.98 8.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.165 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.852 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 m -65.41 -43.04 91.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.16 -35.07 79.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.07 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.5 mt -64.14 -45.29 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.511 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.25 -47.39 84.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.8 m-20 -66.1 -39.32 89.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 ttm -65.17 -40.21 94.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 33.0 t -61.53 -37.09 82.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -67.45 -41.37 84.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.797 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 40' ' ' ASP . 42.9 mm -66.62 -37.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 0.0 109.83 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.67 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 42' ' ' SER . 31.1 mm-40 -63.92 -44.06 94.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.388 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -59.41 -34.37 72.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.6 tpp -69.33 -58.56 3.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.33 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.3 t -58.52 -47.31 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.04 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.82 -33.5 75.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.488 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 m -72.94 -39.73 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.03 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.809 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.8 mm-40 -53.11 -39.78 63.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -85.33 -41.78 15.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.979 0.419 . . . . 0.0 110.765 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.71 -45.49 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.78 -20.47 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.36 -34.01 13.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.993 0.425 . . . . 0.0 110.094 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -84.25 0.33 49.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.217 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.91 34.96 78.16 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.819 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.71 6.51 21.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 t -80.97 141.6 34.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.217 0.532 . . . . 0.0 110.796 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' HD22 ' A' ' 66' ' ' LEU . 32.2 m -156.84 154.06 25.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.21 -35.39 33.89 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.367 2.711 . . . . 0.0 113.476 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.439 HD22 ' C ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -64.16 -38.65 91.83 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.358 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -45.71 79.71 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.11 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.664 -178.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.138 0.494 . . . . 0.0 110.458 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.02 72.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.61 -34.1 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.72 -47.33 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.743 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -71.27 -47.6 55.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.094 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.78 -40.0 86.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.4 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -55.92 -47.65 77.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.646 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.47 71.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.636 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 54.1 p -65.22 -38.24 89.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.698 -175.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.4 ' HB3' HG21 ' A' ' 44' ' ' ILE . 37.7 m -65.58 -38.2 88.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 111.273 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.87 -35.54 74.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 109.933 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.54 -42.6 96.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.976 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 75' ' ' SER . 44.7 mt-10 -56.54 -45.92 80.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.7 -49.27 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.873 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.6 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.899 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.117 -175.168 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.236 0.381 0 CA-C-O 120.914 0.388 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tt -91.66 -27.35 18.16 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -64.46 -35.72 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.467 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.7 m -67.47 -28.88 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.373 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -66.32 -49.33 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.654 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -59.02 -41.86 88.76 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 m -65.46 -40.57 93.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.926 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.2 m -62.12 -48.81 78.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.526 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -50.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.788 0.328 . . . . 0.0 110.552 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.3 97.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.527 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.3 m -68.72 -34.29 75.38 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.53 55.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.107 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.4 ' HE3' HG12 ' A' ' 117' ' ' ILE . 38.4 mtm -64.89 -42.24 94.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.615 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.4 p -63.6 -41.9 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.193 0.521 . . . . 0.0 110.282 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 12.4 t30 -65.78 -40.92 92.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.872 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.03 90.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HD1' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -58.16 -42.09 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.737 0.78 . . . . 0.0 109.224 174.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 106' ' ' LEU . 7.2 tp -59.53 -33.59 71.58 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.147 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 55.6 mm-40 -87.26 -32.83 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 111.23 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.3 p -77.27 -61.03 2.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 111.592 -174.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -104.61 -16.81 14.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.745 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.16 -16.14 61.65 Favored Glycine 0 N--CA 1.455 -0.094 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.321 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.43 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 17.4 t -119.79 154.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.79 129.7 73.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.405 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 51.8 t-20 -92.72 96.85 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -68.39 -48.95 33.78 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.262 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.7 Cg_exo -52.24 -36.07 66.05 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.167 1.911 . . . . 0.0 113.039 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.405 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 3.8 t80 -67.0 -39.19 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 109.295 -177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.4 HG12 ' HE3' ' A' ' 101' ' ' MET . 65.1 mt -69.69 -37.76 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.151 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 8.5 m-20 -57.09 -33.98 67.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.243 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.7 mt-10 -73.53 -43.96 58.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -62.98 -48.33 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.4 p -55.68 -47.19 77.19 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 8.0 mm100 -65.48 -37.37 86.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.1 mp -72.87 -35.9 67.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -57.41 -53.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.035 0.445 . . . . 0.0 109.863 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.1 t -58.3 -47.61 83.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.13 -48.36 73.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.831 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -76.77 -22.42 53.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.953 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.34 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.443 0.64 . . . . 0.0 110.1 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 178.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.3 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 8' ' ' THR . 34.6 Cg_endo -66.54 -12.67 36.73 Favored 'Trans proline' 0 N--CA 1.466 -0.089 0 C-N-CA 122.199 1.933 . . . . 0.0 111.764 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.2 5.38 44.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.519 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -75.27 -24.53 57.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.238 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -139.33 132.49 15.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.52 -32.87 88.39 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 C-N-CA 123.495 2.796 . . . . 0.0 111.933 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.42 -32.46 62.25 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.589 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.75 -57.65 5.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.25 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.76 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.38 -47.92 80.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.011 0.434 . . . . 0.0 110.402 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -73.95 -28.5 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.8 -56.58 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -34.73 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.308 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.3 m-80 -57.94 -59.54 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.344 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.0 m -62.65 -36.35 82.56 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.82 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 81.3 t80 -56.73 -54.38 46.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 1.7 mmt -65.28 -35.67 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.305 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.5 mm-40 -58.44 -50.8 72.42 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.735 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -71.13 -37.93 63.64 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.187 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -58.6 -41.15 85.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.404 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -66.77 -17.94 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -96.76 2.12 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.023 0.44 . . . . 0.0 110.487 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 26.3 mmt -91.67 122.37 65.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.955 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.57 109.93 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.574 2.183 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.64 -38.77 0.58 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.252 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 53.5 m-85 -88.19 -178.6 5.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.218 0.533 . . . . 0.0 110.991 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 t -138.38 164.63 28.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.255 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.72 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.397 0.436 . . . . 0.0 111.671 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -59.93 -43.27 95.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.44 -30.6 64.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.094 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 27' ' ' LEU . 96.9 mt -68.78 -40.42 79.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -51.01 71.6 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.304 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . 39.8 m-20 -64.27 -45.99 85.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.8 ttm -58.1 -42.2 85.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.173 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 26.0 t -62.16 -46.49 88.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.419 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 m -63.65 -41.14 98.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.22 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -66.6 -40.3 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.123 0.487 . . . . 0.0 110.266 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.16 -36.67 73.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.534 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.3 mm-40 -63.95 -34.95 79.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.703 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -59.93 -39.72 86.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.124 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.8 ttm -69.12 -47.57 64.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 94.5 t -56.65 -45.12 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.482 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -61.0 -37.29 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 58.5 m -69.14 -38.25 78.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.46 -37.55 79.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.76 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.1 mm-40 -55.55 -48.17 75.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 0.0 110.054 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.3 m -64.01 -42.56 97.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.977 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 82.3 mt -61.45 -46.23 90.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.287 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.59 -3.38 50.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.07 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 -41.92 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.102 0.477 . . . . 0.0 109.99 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.96 -27.63 26.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.699 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.54 43.31 6.96 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.104 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -105.5 9.19 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 55' ' ' LEU . 1.2 m -82.54 84.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 112.18 -172.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -89.42 158.98 45.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 169.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.8 -24.98 40.7 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.67 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.0 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.045 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 27.0 mmmt -61.42 -49.76 75.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.004 0.431 . . . . 0.0 110.246 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD22 ' H ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -70.03 -33.44 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.631 -174.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.08 -42.49 94.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.234 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.35 66.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.3 mt -62.01 -31.97 72.4 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.602 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -53.61 -56.26 18.75 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.529 0.518 . . . . 0.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.19 -45.17 93.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.372 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -65.19 -42.16 93.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.506 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -61.5 -46.21 90.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 -32.96 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.1 p -67.21 -41.42 85.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.77 -29.99 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.048 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.361 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -36.24 82.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.348 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.72 -47.82 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.464 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -20.07 63.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.15 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.053 0.454 . . . . 0.0 110.48 175.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.456 0.646 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.5 -41.41 88.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.756 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -55.46 -35.3 65.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.148 0.499 . . . . 0.0 111.849 -176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.9 m -73.48 -31.42 63.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.383 0.611 . . . . 0.0 110.734 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.5 mtmm -87.68 -37.24 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.302 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 p -54.92 -46.16 74.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.968 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -60.99 -37.45 82.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -62.47 -44.88 95.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.326 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.49 -52.6 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.044 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.97 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.947 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.1 m -64.88 -36.39 84.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 120.792 0.33 . . . . 0.0 110.971 -177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.72 -34.7 34.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.5 ttp -70.28 -44.1 69.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.409 ' O ' HD13 ' A' ' 106' ' ' LEU . 32.2 m -62.07 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.455 0.645 . . . . 0.0 110.133 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.9 t30 -64.93 -33.27 75.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.56 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -36.56 83.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.504 0.669 . . . . 0.0 109.87 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 102' ' ' SER . 8.5 mp -66.47 -34.41 77.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.767 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.0 mm-40 -73.26 -30.55 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.8 p -92.27 -59.76 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -171.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -119.88 -9.8 9.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.957 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.86 1.39 88.93 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.856 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.17 145.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.67 124.8 70.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.128 0.489 . . . . 0.0 111.354 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -81.23 91.08 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.563 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.452 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.4 tp60 -64.45 -47.62 76.78 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.767 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.4 Cg_exo -47.51 -45.25 23.58 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.519 2.146 . . . . 0.0 113.3 177.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.27 -37.85 71.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.237 0.542 . . . . 0.0 110.022 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.51 -31.64 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.441 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.3 m-20 -61.95 -39.49 92.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.313 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' HD13 ' A' ' 123' ' ' LEU . 41.9 mt-10 -64.73 -51.35 62.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.68 -54.93 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -56.98 -42.99 81.22 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -171.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 76.5 mm-40 -69.58 -38.77 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 0.0 110.454 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.5 mp -69.76 -38.02 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.8 t -53.42 -58.17 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.532 0.682 . . . . 0.0 109.501 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.9 m -54.79 -46.56 74.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.773 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.4 ttp -66.37 -44.79 82.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.44 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -77.91 -25.96 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.845 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.44 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.223 0.535 . . . . 0.0 110.834 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.554 178.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.01 -21.0 72.93 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.892 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.26 12.11 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.278 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 t -62.07 -42.97 99.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.97 140.94 39.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.4 -40.46 57.61 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.086 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.72 -31.97 77.12 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.153 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.79 -58.99 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.23 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.632 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.81 -50.28 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.79 -31.37 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.867 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.11 -50.7 72.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.014 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.51 -35.85 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.723 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 7.2 m-80 -59.4 -56.88 16.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.492 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -65.15 -30.82 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.36 -52.55 65.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.123 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.793 -179.464 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 35.1 mm-40 -56.13 -42.73 77.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.37 -36.48 26.8 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.349 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 9.2 tp -68.26 -29.34 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.6 0.238 . . . . 0.0 111.595 -175.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 p -74.38 2.09 10.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 m -115.59 3.03 13.91 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.199 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.52 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.5 mmt -92.83 138.07 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -175.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.62 160.5 22.04 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.805 2.337 . . . . 0.0 111.672 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.14 -12.74 44.67 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.542 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.55 -168.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.928 0.394 . . . . 0.0 110.543 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.8 t -153.49 171.94 17.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.632 0.582 . . . . 0.0 111.967 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -68.7 -46.22 69.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.753 0.311 . . . . 0.0 110.268 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.93 -33.86 76.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.157 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 34' ' ' THR . 98.0 mt -71.73 -43.91 65.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.67 -44.86 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.307 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.3 m-20 -61.94 -45.14 94.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.1 ttm -63.86 -35.99 82.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 43.6 t -58.94 -47.04 86.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.121 177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.7 m -65.24 -38.36 90.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 40' ' ' ASP . 41.1 mm -67.98 -39.54 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 109.925 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -60.17 -36.21 77.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.355 176.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -67.09 -32.43 73.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 m -68.27 -34.36 76.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.08 0.467 . . . . 0.0 110.009 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.8 mmm -63.17 -47.81 81.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.811 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.64 -51.23 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.94 -36.93 70.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.756 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -68.69 -37.28 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.8 mm-40 -57.88 -34.47 69.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.198 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -81.32 -44.58 17.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.04 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 51' ' ' SER . 79.9 mt -58.41 -39.86 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.459 -178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -12.93 60.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.566 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.36 -28.97 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.307 0.575 . . . . 0.0 110.042 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.29 -7.5 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.69 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 39.06 84.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.943 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -123.35 25.81 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.625 0.25 . . . . 0.0 111.447 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.56 63.27 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.862 0.839 . . . . 0.0 110.86 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 m -79.68 139.95 54.81 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.344 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.03 -25.4 63.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.59 2.194 . . . . 0.0 112.83 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -69.31 -26.81 64.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.266 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.3 mttm -73.0 -49.51 28.47 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.497 0.665 . . . . 0.0 109.243 174.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.9 -39.91 87.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.289 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.8 tm0? -67.09 -43.0 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.23 71.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.04 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.0 mt -59.32 -34.71 72.66 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 7.2 t30 -52.91 -48.46 67.22 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.191 0.52 . . . . 0.0 111.248 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.6 mtm -71.6 -44.92 63.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.448 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -68.02 -37.19 81.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.016 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.91 -46.15 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.27 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.828 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.8 p -72.87 -34.26 66.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -65.46 -40.01 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.195 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.5 mtm -69.48 -32.66 71.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.084 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.67 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.138 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.0 mt-10 -57.79 -45.03 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.321 0.581 . . . . 0.0 110.405 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -67.58 -48.72 75.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.919 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.02 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 178.574 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 125' ' ' SER . 51.0 tp -55.01 -25.9 33.33 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.076 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -54.38 -39.86 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.883 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 m -77.56 -39.28 46.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -56.43 -49.63 74.01 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.617 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -60.03 -35.47 75.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.517 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 m -73.29 -42.2 62.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.698 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.52 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.8 m -61.56 -48.13 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.868 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.572 HG22 ' SD ' ' A' ' 101' ' ' MET . 65.6 mt -59.53 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.633 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.02 -32.36 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.631 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -71.37 -40.26 70.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.292 0.568 . . . . 0.0 109.77 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.75 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.769 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 97' ' ' ILE . 17.6 mtp -67.72 -47.11 70.29 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.769 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -63.5 -43.56 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.164 0.506 . . . . 0.0 110.168 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 t30 -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.01 177.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.06 86.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.924 0.393 . . . . 0.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.73 -31.66 70.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 109.393 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.05 -28.36 69.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.715 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -88.27 -28.42 21.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.827 0.346 . . . . 0.0 111.401 -176.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -88.71 -36.61 16.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.371 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.2 p -117.33 -36.49 3.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.82 -3.6 57.41 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.56 158.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.28 124.1 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.314 . . . . 0.0 110.577 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -84.17 120.2 25.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.208 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.542 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.9 tp60 -86.23 -53.75 0.42 Allowed Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.6 Cg_endo -52.28 -48.64 20.75 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.891 2.394 . . . . 0.0 114.526 -170.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -71.32 -34.34 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.867 0.365 . . . . 0.0 110.465 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.93 -31.82 55.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.555 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.94 -31.89 73.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' HD13 ' A' ' 123' ' ' LEU . 34.0 mt-10 -86.44 -51.3 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.425 -174.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -52.96 -49.2 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 122.991 0.182 . . . . 0.0 111.251 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.7 p -54.95 -53.02 60.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -64.87 -40.14 94.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -69.55 -40.09 77.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 120' ' ' ILE . 77.7 t -56.89 -52.85 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.065 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.491 ' HA ' HD21 ' A' ' 90' ' ' LEU . 7.4 t -61.95 -46.42 89.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 58.6 ttp -61.65 -54.45 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.606 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 36.1 m-85 -66.94 -30.54 70.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.548 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.01 -54.31 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.327 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.522 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 8' ' ' THR . 56.2 Cg_endo -70.86 -13.07 31.66 Favored 'Trans proline' 0 CA--C 1.525 0.059 0 C-N-CA 122.46 2.107 . . . . 0.0 112.748 -177.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.459 ' HB2' HD22 ' A' ' 66' ' ' LEU . 10.0 m95 -103.99 15.69 27.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.404 -174.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.448 HG23 ' HB ' ' A' ' 8' ' ' THR . 24.1 p -71.4 -39.01 71.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.457 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -132.02 148.75 71.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.631 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.69 -40.17 38.78 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.765 2.31 . . . . 0.0 112.063 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.62 -34.49 87.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.992 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -60.12 4.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.27 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.964 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.32 -55.56 33.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.42 . . . . 0.0 110.384 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -66.18 -33.68 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.155 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.46 -51.87 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.521 ' O ' ' HG2' ' A' ' 24' ' ' MET . 24.0 mmt -65.7 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -62.95 -51.6 66.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.463 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -65.59 -31.26 72.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.797 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.496 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 77.4 t80 -57.66 -52.3 65.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.22 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 20' ' ' MET . 61.6 mmm -65.6 -36.14 82.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.1 -39.03 80.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -83.96 -40.12 8.94 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.096 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -60.98 -36.94 80.77 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.628 0.371 . . . . 0.0 110.913 -176.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -66.78 -21.25 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.885 0.374 . . . . 0.0 111.529 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -99.82 10.22 41.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.612 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 25.9 mmt -96.31 116.71 66.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.35 110.97 2.98 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.06 1.84 . . . . 0.0 111.109 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.07 -31.97 0.88 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.906 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -102.04 -171.98 2.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.797 0.332 . . . . 0.0 110.295 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -150.66 175.15 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.48 75.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.411 0.445 . . . . 0.0 111.69 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 m -66.23 -44.02 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.655 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.09 -43.01 99.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 27' ' ' LEU . 1.9 mp -57.89 -38.78 76.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.569 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.44 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.46 -46.73 69.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.758 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.594 ' SD ' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -46.57 -53.04 12.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 173.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.3 t -61.92 -37.18 83.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.084 0.469 . . . . 0.0 110.552 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.9 m -70.47 -44.01 68.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.162 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.452 HG13 HD11 ' A' ' 80' ' ' ILE . 47.1 mm -68.6 -37.08 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.208 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.46 63.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.517 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.9 mm-40 -63.42 -41.14 98.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.884 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.9 m -60.84 -38.06 84.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.642 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.7 tpp -67.69 -49.74 61.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.469 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.7 t -59.89 -46.58 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.12 -28.58 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -73.82 -44.86 54.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.188 0.518 . . . . 0.0 110.242 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.01 -34.71 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.678 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.6 mm-40 -53.93 -45.16 71.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.024 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -72.42 -40.05 67.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.08 -36.48 83.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.564 0.221 . . . . 0.0 111.357 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.01 -14.06 59.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.76 -31.0 13.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.93 -16.73 46.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.884 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.54 32.35 71.28 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -113.58 29.62 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 111.374 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -76.6 80.73 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.617 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -100.34 146.95 32.87 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.55 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.97 -33.01 70.75 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.111 2.541 . . . . 0.0 112.784 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 93.0 m-20 -71.86 -21.07 61.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.7 mttm -76.85 -40.62 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.588 0.708 . . . . 0.0 109.314 173.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 10' ' ' TRP . 22.0 mt -72.06 -36.56 69.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.075 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -61.91 -32.73 73.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.577 . . . . 0.0 110.421 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 -32.94 66.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.596 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.8 mt -64.04 -32.58 74.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.713 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.47 -57.98 9.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.952 0.406 . . . . 0.0 110.561 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtm -59.48 -47.94 83.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.318 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.58 -48.66 80.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.071 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -57.06 -52.46 65.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.05 79.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.898 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 m -70.65 -29.59 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.562 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -69.33 -36.71 77.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.535 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.4 mtm -73.89 -29.63 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.092 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.33 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.888 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.12 -44.57 75.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.03 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.594 HG21 ' SD ' ' A' ' 41' ' ' MET . 70.4 mt -62.77 -52.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.248 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.5 80.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.175 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.047 0.451 . . . . 0.0 110.955 -179.336 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.9 m . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 121.653 0.739 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.421 HD11 ' HB1' ' A' ' 128' ' ' ALA . 6.5 tt -76.33 -29.26 57.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.436 -174.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 m -59.65 -22.21 61.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.847 0.355 . . . . 0.0 110.829 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.8 m -90.69 -43.34 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.047 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -53.23 -43.57 67.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.534 -177.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -64.89 -18.94 65.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -91.08 -37.95 13.09 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 18.5 m -57.85 -43.08 85.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.504 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.609 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -59.73 -50.74 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.3 74.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.745 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 t -69.16 -41.58 77.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.29 79.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.609 ' SD ' HG22 ' A' ' 97' ' ' ILE . 30.3 mtp -64.66 -45.1 88.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.732 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.446 ' O ' HD13 ' A' ' 106' ' ' LEU . 29.3 m -60.38 -47.33 86.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.205 177.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 39.4 t30 -60.29 -37.61 81.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.049 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.02 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.104 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 19.4 m-85 -61.37 -39.04 89.19 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.402 0.62 . . . . 0.0 110.577 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 102' ' ' SER . 5.2 mp -59.36 -38.06 79.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.422 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.3 mm-40 -82.58 -29.23 30.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.187 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 p -84.31 -66.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 111.733 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -108.44 -14.03 14.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.457 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.48 6.19 87.78 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.193 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 t -135.8 143.52 36.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 p -114.65 128.73 71.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 120.999 0.428 . . . . 0.0 111.022 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -89.21 98.18 11.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.487 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.422 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.0 tp60 -67.39 -46.82 49.21 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.082 -177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.2 Cg_exo -46.79 -44.14 22.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.542 2.161 . . . . 0.0 113.175 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.65 -40.5 76.46 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.797 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.418 HG23 ' HE2' ' A' ' 101' ' ' MET . 55.7 mt -65.89 -36.44 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.561 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.432 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.0 m-20 -60.5 -36.96 79.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.088 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.4 mt-10 -66.39 -47.52 73.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.498 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -57.18 -48.05 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.7 p -58.72 -42.15 88.02 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.492 HE21 ' HA ' ' A' ' 119' ' ' GLU . 22.5 pt20 -78.02 -9.48 59.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.523 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 81.2 mt -94.96 -41.9 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.461 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -53.93 -59.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 O-C-N 123.304 0.377 . . . . 0.0 111.051 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -45.07 89.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.145 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -63.35 -55.63 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.34 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.05 -28.94 69.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.611 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 90' ' ' LEU . . . -71.64 -58.25 3.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.737 0.303 . . . . 0.0 111.664 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.099 -178.38 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' HG22 ' A' ' 8' ' ' THR . 45.7 Cg_endo -70.19 -13.02 33.11 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.533 2.155 . . . . 0.0 112.722 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -100.94 15.0 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.05 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -67.73 -64.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.618 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.86 140.37 22.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.053 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.15 -42.76 52.1 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.839 2.36 . . . . 0.0 112.22 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.71 -39.78 97.14 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.585 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.46 -39.51 77.71 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.36 -0.494 . . . . 0.0 110.011 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.9 82.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.612 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.15 -38.21 87.56 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.098 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 108' ' ' THR . 23.9 m-80 -69.42 -37.12 77.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.419 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.35 -52.02 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 23' ' ' PHE . 19.2 mmt -63.82 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.336 . . . . 0.0 111.466 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.7 m-80 -67.57 -52.62 36.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.631 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -61.61 -32.94 73.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.502 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 20' ' ' MET . 64.0 t80 -54.54 -58.97 5.41 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.695 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.9 tpp -70.61 -32.09 69.31 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.595 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 15.9 mm100 -60.6 -35.35 75.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.019 0.437 . . . . 0.0 110.523 175.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.94 13.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.005 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.63 -31.42 72.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.556 0.217 . . . . 0.0 111.571 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -71.34 -2.44 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.975 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -108.01 2.9 23.52 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.8 mmt -99.14 136.36 20.54 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 30' ' ' MET . 5.8 Cg_exo -75.37 164.49 32.57 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.55 2.167 . . . . 0.0 111.768 173.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.78 -27.79 9.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.659 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.22 161.91 16.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 37' ' ' GLN . 11.3 t -108.58 163.72 12.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 170.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.88 66.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -62.28 -32.86 73.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.095 0.474 . . . . 0.0 111.173 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG3' ' CG2' ' A' ' 34' ' ' THR . 74.5 mt-30 -80.85 -40.33 25.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.072 -178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.11 -39.96 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.572 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.16 -42.02 98.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.975 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.471 ' O ' HG12 ' A' ' 44' ' ' ILE . 13.5 t70 -66.53 -48.74 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.85 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.5 ttm -58.88 -40.76 85.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.302 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 15.5 t -63.75 -39.68 94.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.399 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -67.84 -42.52 81.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.817 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.0 mm -65.82 -36.98 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.308 0.575 . . . . 0.0 110.13 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.61 -38.34 74.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.809 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.6 mm-40 -63.99 -33.72 76.37 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -63.73 -42.17 97.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.0 mtp -63.85 -42.03 97.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.066 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 93.8 t -56.61 -50.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.52 177.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.03 -35.94 78.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -66.93 -39.38 87.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.7 mt -74.32 -32.39 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.192 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -53.06 -48.06 67.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 110.423 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.5 m -79.81 -34.36 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.123 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 HD11 ' HD2' ' A' ' 65' ' ' LYS . 44.7 tp -57.01 -49.46 75.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.62 7.02 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 -34.37 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.176 0.512 . . . . 0.0 109.743 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.45 -7.39 59.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.701 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.12 24.01 77.49 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.42 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 60' ' ' ARG . 49.1 mtt180 -99.19 18.24 17.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.225 0.536 . . . . 0.0 110.994 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -73.03 105.07 4.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.799 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.467 ' O ' HD22 ' A' ' 66' ' ' LEU . 3.4 m -119.58 149.31 47.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.93 -40.77 49.03 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.961 2.441 . . . . 0.0 113.153 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.25 -35.73 78.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HD2' HD11 ' A' ' 55' ' ' LEU . 30.8 mttp -66.82 -40.37 87.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.8 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -69.75 -33.9 73.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 110.093 178.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.3 tt0 -63.31 -40.32 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.92 87.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 88.9 mt -64.79 -29.07 70.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 25.0 t-20 -60.75 -53.57 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.338 0.59 . . . . 0.0 109.995 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.57 -45.01 73.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.871 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -54.51 -46.44 73.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.82 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -58.67 -48.83 79.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.39 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.18 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.623 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.1 p -69.83 -39.0 76.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -61.88 -35.34 78.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.956 0.408 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.0 mtm -75.14 -36.61 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.953 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.29 -38.28 83.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.467 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.6 -47.09 83.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.409 0.623 . . . . 0.0 110.343 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.5 -38.06 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.684 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . . . -66.6 -17.36 64.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.371 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.74 176.673 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 23.1 t . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' THR . 50.5 tp -70.74 -35.18 72.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.646 0.26 . . . . 0.0 110.356 176.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -53.16 -39.83 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.513 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 m -78.97 -44.03 23.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.768 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 89' ' ' SER . 61.9 mttp -53.46 -51.15 63.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 90' ' ' LEU . 10.2 t -69.69 -10.97 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.671 -175.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 m -95.11 -43.86 7.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.929 0.395 . . . . 0.0 110.415 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.523 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 54.1 m -55.11 -41.08 71.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.617 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.615 HG22 ' SD ' ' A' ' 101' ' ' MET . 68.9 mt -58.43 -47.06 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.02 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.43 99.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.145 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m -67.33 -32.64 73.73 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.0 0.429 . . . . 0.0 110.582 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.47 64.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.575 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.615 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.2 mtp -65.85 -44.48 85.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 27.0 t -64.35 -40.23 95.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.252 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 41.5 t-20 -55.36 -48.09 74.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.257 174.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.27 78.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.894 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -66.14 -32.17 73.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.229 0.538 . . . . 0.0 110.412 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 102' ' ' SER . 63.1 mt -73.81 -20.56 60.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.661 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 50.5 mm-40 -97.42 -18.66 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.1 p -92.32 -65.17 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -34.98 6.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.007 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.61 -11.14 38.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.5 t -111.55 142.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.9 t -103.65 137.36 32.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.087 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -109.52 102.79 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.564 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.2 tp60 -66.57 -49.68 50.13 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 7.8 Cg_endo -49.33 -37.07 39.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.807 2.338 . . . . 0.0 114.142 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -73.4 -24.14 60.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.908 0.385 . . . . 0.0 111.073 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.13 -33.11 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.458 0.646 . . . . 0.0 109.672 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -61.46 -45.63 93.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.541 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.9 mt-10 -62.73 -55.56 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.391 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.53 -48.35 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.696 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 p -58.26 -42.42 86.41 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.17 -40.3 94.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 67.8 mt -70.21 -35.63 74.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.134 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 120' ' ' ILE . 87.0 t -56.84 -59.09 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 121.62 0.724 . . . . 0.0 109.659 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 m -58.97 -25.32 63.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.821 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.6 ttm -82.36 -60.21 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 111.036 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -69.61 -24.79 63.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.332 -172.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.46 98.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.197 0.522 . . . . 0.0 110.881 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.997 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 35.0 Cg_endo -64.74 -17.82 60.66 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.603 2.202 . . . . 0.0 112.944 -176.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -96.23 5.31 51.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.221 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -73.46 -27.71 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 111.042 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -136.43 135.84 21.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.5 Cg_exo -53.65 -43.42 57.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.844 2.362 . . . . 0.0 111.759 173.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.03 -38.19 95.67 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.466 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.9 -40.21 79.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 110.171 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.4 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.673 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 10.2 pt-20 -65.79 -39.68 91.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.167 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.85 -38.29 79.68 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.688 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.41 -47.52 81.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.217 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 24' ' ' MET . 25.5 mmt -65.29 -37.37 86.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 6.1 m-80 -58.46 -54.43 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.702 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -67.4 -31.44 71.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 80.5 t80 -58.11 -55.22 37.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.554 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.9 mmm -64.71 -33.86 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.692 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 57.8 mt-30 -58.08 -49.08 78.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.025 0.44 . . . . 0.0 110.803 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -77.46 -33.1 44.64 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.224 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 23' ' ' PHE . 13.6 tp -68.8 -32.69 72.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 111.007 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.0 m -97.67 -5.48 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.449 . . . . 0.0 110.231 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.453 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.4 mmt -85.58 133.62 41.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.82 144.87 31.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.573 2.182 . . . . 0.0 112.2 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.35 -26.78 5.7 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -109.37 -170.97 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.389 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.8 t -154.24 168.8 25.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.075 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.11 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.27 0.356 . . . . 0.0 111.74 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -46.12 91.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.101 0.476 . . . . 0.0 110.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -68.8 -38.29 79.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.967 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.4 mt -67.51 -36.1 80.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.77 -46.02 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.275 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.487 ' O ' HG12 ' A' ' 44' ' ' ILE . 14.0 t70 -64.81 -43.83 91.86 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.93 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.8 ttm -60.92 -41.1 95.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.863 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 24.7 m -62.68 -41.67 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.069 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.2 m -64.66 -45.5 86.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.2 mm -65.32 -35.8 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.257 0.551 . . . . 0.0 110.075 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.68 -36.76 72.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.359 175.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 42' ' ' SER . 24.5 mm-40 -67.69 -37.1 81.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.248 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -61.97 -42.61 99.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 110.045 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.8 mmm -58.82 -50.15 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.5 t -57.72 -49.62 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -57.23 -36.59 71.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.817 0.341 . . . . 0.0 111.57 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -67.57 -45.56 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.549 . . . . 0.0 110.078 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.3 mt -68.37 -33.36 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.187 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.2 mm-40 -51.82 -39.21 58.38 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.004 0.43 . . . . 0.0 110.929 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -92.06 -40.11 11.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.12 -50.52 72.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.412 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.75 -2.21 49.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.45 -38.15 9.31 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -79.11 0.81 26.57 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.842 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.44 32.61 84.77 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.601 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.456 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 96.6 mtt180 -107.88 17.75 22.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.298 0.57 . . . . 0.0 110.785 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.91 80.88 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.167 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -83.4 149.65 58.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.692 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.54 -40.04 29.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.971 2.447 . . . . 0.0 112.714 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.324 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.1 mttm -64.79 -44.95 88.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.923 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 26.3 tt0 -62.01 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.433 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HA ' ' CE ' ' A' ' 71' ' ' MET . . . -65.68 -34.52 78.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.884 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 84.5 mt -65.15 -28.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.737 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.526 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 9.0 t30 -59.71 -56.25 24.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.152 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.431 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 66.8 mtm -62.48 -42.17 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.017 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -58.78 6.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -58.82 -49.75 76.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.638 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.34 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.5 p -70.61 -30.3 66.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.419 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB3' HG21 ' A' ' 44' ' ' ILE . 55.8 m -62.94 -36.83 84.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.852 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.9 mtm -76.64 -33.64 58.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.97 91.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.259 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.56 -43.54 68.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.041 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.6 mt -76.91 -46.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.02 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.52 68.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.076 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.894 178.11 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.74 -35.55 81.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -57.44 -32.51 66.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 m -79.05 -39.23 34.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.062 0.458 . . . . 0.0 110.191 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.15 -43.63 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.455 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -68.48 -29.92 68.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.707 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -84.39 -34.9 23.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.304 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 30' ' ' MET . 3.2 p -66.83 -43.26 84.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.006 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.9 mt -55.97 -48.6 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.408 . . . . 0.0 110.545 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.21 83.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.421 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -73.9 -41.72 61.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.781 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtm -66.16 -45.08 82.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.711 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.2 m -57.58 -45.41 85.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.893 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 38.4 t30 -64.07 -36.81 85.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.068 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.48 88.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.127 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.525 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 33.0 m-85 -58.98 -36.71 75.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.284 0.564 . . . . 0.0 109.927 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.23 -21.01 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.936 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.8 mm-40 -95.58 -16.96 21.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.2 p -103.42 -67.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.844 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 t -104.81 -18.78 14.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.75 -14.97 63.46 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.819 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.5 t -119.04 145.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.3 t -97.62 133.06 40.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.418 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -97.64 96.46 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 109.943 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.615 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.3 tp60 -65.76 -49.25 60.74 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.263 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -43.22 -47.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.373 2.715 . . . . 0.0 114.272 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -72.68 -42.23 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.26 -31.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.6 m-20 -61.3 -42.69 99.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.48 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -74.95 -45.26 43.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.23 -51.22 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 122.96 0.163 . . . . 0.0 111.269 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.7 p -57.54 -37.37 72.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.96 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 28.7 mm-40 -67.64 -45.99 73.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.83 -40.06 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.329 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.8 t -52.48 -59.7 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 121.742 0.782 . . . . 0.0 110.164 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 m -54.36 -36.59 64.01 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 113.947 -1.479 . . . . 0.0 112.112 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 56.4 ttp -80.17 -49.46 11.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.973 0.416 . . . . 0.0 111.333 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -70.39 -26.18 63.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.83 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 110.681 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.592 -179.663 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' HG22 ' A' ' 8' ' ' THR . 35.9 Cg_endo -65.6 -20.99 59.96 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.409 2.073 . . . . 0.0 112.494 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -99.46 23.36 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.08 -49.52 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.827 0.346 . . . . 0.0 111.677 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -122.5 146.53 47.74 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.451 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.6 -51.97 7.99 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 123.167 2.578 . . . . 0.0 112.219 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -28.81 73.66 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.172 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.86 -59.64 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.47 -39.91 70.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.641 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.67 -52.33 64.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.05 -32.41 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.643 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.71 -50.9 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.322 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.67 -36.1 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.532 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.6 m-80 -60.17 -52.83 63.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.466 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -69.34 -29.94 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.679 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -57.4 -51.19 70.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.211 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.56 -32.05 72.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.3 mm100 -58.24 -33.06 68.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.101 0.477 . . . . 0.0 111.078 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -92.92 -35.97 6.2 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.113 177.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -63.68 -20.24 65.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.076 0.465 . . . . 0.0 110.968 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -101.06 2.65 40.62 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.846 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.8 mmt -84.72 125.82 70.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.952 -178.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.69 132.17 21.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.729 2.286 . . . . 0.0 111.93 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 130.8 -28.46 3.72 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.996 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -108.59 -173.19 2.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.996 0.426 . . . . 0.0 110.759 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.551 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 t -153.17 163.16 40.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.19 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.436 0.46 . . . . 0.0 111.594 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -61.22 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.49 -30.24 57.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 0.0 110.274 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 34' ' ' THR . 83.6 mt -71.88 -36.53 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.714 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.63 -55.75 28.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.4 m-20 -63.8 -39.47 94.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.0 ttm -63.11 -37.89 89.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.766 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 48.3 t -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 m -66.98 -34.41 77.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.886 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.1 mm -65.57 -39.78 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 109.85 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.48 71.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.352 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.4 mm-40 -62.87 -35.36 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.646 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -69.67 -20.22 63.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.449 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 tpp -88.24 -57.01 3.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.685 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 47.2 t -66.46 -52.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.612 -173.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -20.15 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.69 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 t -75.36 -45.37 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.16 -29.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.4 mm-40 -52.95 -38.7 62.28 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.192 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -97.15 -32.8 11.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.345 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.01 -48.41 80.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.54 -6.82 59.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.697 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.85 -33.18 12.93 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.47 -6.67 56.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.859 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.52 49.87 47.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.202 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -124.98 18.98 8.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 0.0 110.235 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -86.46 98.42 11.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.601 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -100.79 146.67 32.48 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.828 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.26 -31.58 47.06 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.066 2.51 . . . . 0.0 112.413 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.6 -35.38 75.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.927 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 62.8 mttt -71.22 -40.92 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.079 0.466 . . . . 0.0 110.067 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.47 -44.35 87.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.627 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.0 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.745 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.7 mt -66.17 -25.45 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.447 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.493 HD21 ' HB2' ' A' ' 119' ' ' GLU . 22.9 t-20 -49.08 -52.43 25.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.6 0.562 . . . . 0.0 111.718 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.42 -59.19 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.211 -173.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.59 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.762 -173.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -61.39 -48.32 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.991 0.424 . . . . 0.0 110.052 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.34 -47.91 74.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.51 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.655 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 78.5 p -65.96 -38.94 89.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.943 -173.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 m -63.14 -34.93 78.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.6 mtm -74.79 -35.71 62.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.541 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -61.7 -40.43 95.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.597 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' 75' ' ' SER . 34.3 mt-10 -61.99 -32.24 72.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.765 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.5 mt -77.15 -45.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.456 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.19 -29.15 70.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.942 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.565 178.315 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.236 0.381 0 CA-C-O 120.806 0.336 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.0 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 m -62.94 -34.07 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 m -81.38 -36.04 30.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 110.03 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 45.1 mttt -57.42 -52.21 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.972 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.414 HG21 ' OG ' ' A' ' 125' ' ' SER . 22.9 p -59.94 -44.78 94.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 111.202 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -63.2 -36.65 84.35 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.136 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 74.0 m -63.35 -47.84 80.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.64 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.7 mt -58.96 -49.14 84.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.556 -178.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.19 73.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 t -72.18 -34.37 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 0.0 109.831 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.89 56.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.645 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.64 ' SD ' HG22 ' A' ' 97' ' ' ILE . 24.2 mtp -65.21 -46.16 81.83 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 106' ' ' LEU . 12.4 p -63.92 -46.33 85.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.089 0.471 . . . . 0.0 110.41 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 36.4 t30 -58.17 -41.47 83.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.944 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.001 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -41.67 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.314 0.578 . . . . 0.0 109.995 174.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 102' ' ' SER . 5.8 mp -61.75 -30.93 71.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.566 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 20.0 mm-40 -84.61 -32.27 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.299 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 p -86.46 -43.93 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 111.4 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -119.35 -37.43 3.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.944 0.402 . . . . 0.0 111.368 -174.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.34 -5.55 52.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.39 154.27 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.33 132.07 70.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.273 0.559 . . . . 0.0 111.223 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -84.09 100.9 11.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.944 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.2 tp60 -68.69 -49.56 28.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.6 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.8 Cg_endo -46.35 -46.31 17.2 Favored 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.192 2.594 . . . . 0.0 114.103 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' O ' HD13 ' A' ' 120' ' ' ILE . 15.0 m-85 -70.97 -40.25 72.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.535 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.1 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.602 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.7 m-20 -59.69 -48.73 80.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.493 ' HB2' HD21 ' A' ' 70' ' ' ASN . 45.0 mt-10 -65.45 -47.94 74.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.226 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.709 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -53.45 -52.21 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 121.32 -0.152 . . . . 0.0 111.114 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.8 p -58.56 -39.57 80.65 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.9 mm-40 -67.86 -45.0 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.274 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.15 -36.74 82.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.419 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -54.16 -58.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.567 0.699 . . . . 0.0 109.781 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.414 ' OG ' HG21 ' A' ' 94' ' ' THR . 58.2 m -55.76 -41.23 73.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.705 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -72.06 -54.48 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.199 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.88 -27.55 69.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.602 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.78 93.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.077 0.465 . . . . 0.0 111.051 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 -178.358 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.492 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' HG22 ' A' ' 8' ' ' THR . 36.4 Cg_endo -66.66 -16.46 50.6 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.637 2.224 . . . . 0.0 112.992 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -91.53 16.16 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.611 0.243 . . . . 0.0 111.163 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -72.39 -37.11 68.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.0 111.586 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 15.7 t30 -132.99 129.19 20.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.484 0.659 . . . . 0.0 111.18 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 48.4 Cg_exo -51.58 -39.39 65.52 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 123.934 3.09 . . . . 0.0 111.814 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.86 -43.26 99.19 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.086 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 tp -64.95 -44.57 88.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.596 0.236 . . . . 0.0 110.392 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -60.61 -42.5 96.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.56 -58.73 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -56.62 -33.32 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.512 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.78 -50.16 72.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.255 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 25.8 mmt -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.546 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -56.29 16.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.772 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -68.57 -29.7 68.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.951 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 81.9 t80 -57.45 -50.63 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.355 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 51.3 mmm -63.8 -35.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.28 -39.8 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.98 -38.91 17.93 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.069 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -62.97 -34.02 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.679 0.391 . . . . 0.0 111.073 -177.237 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.488 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.5 p -69.35 -15.24 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -100.8 8.92 42.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.1 mmt -100.81 115.24 65.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.592 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.61 106.63 2.0 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.617 2.212 . . . . 0.0 112.53 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.12 -37.61 0.41 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.332 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.702 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 66.1 m-85 -96.69 144.55 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.512 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.457 HG22 ' HG2' ' A' ' 37' ' ' GLN . 9.0 t -102.76 171.98 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.44 76.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.559 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -62.72 -40.02 95.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.191 0.519 . . . . 0.0 110.791 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG2' HG22 ' A' ' 34' ' ' THR . 13.2 mm-40 -71.5 -40.25 70.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.877 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.513 ' CD1' HD12 ' A' ' 27' ' ' LEU . 5.3 tp -64.2 -40.45 96.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.1 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.62 -38.06 89.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.371 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.2 t70 -66.27 -47.89 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.415 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.7 mtt -50.54 -54.21 24.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.552 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.3 t -58.65 -42.82 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.341 -174.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 m -67.94 -45.72 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.55 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -64.81 -39.67 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.201 0.524 . . . . 0.0 110.048 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.21 -39.75 72.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.438 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 42' ' ' SER . 20.2 mm-40 -65.82 -35.02 79.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.768 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -62.67 -44.67 95.65 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.852 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.5 ppp? -72.5 -31.27 65.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.354 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 84.9 t -67.14 -41.67 87.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.624 0.249 . . . . 0.0 110.539 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 30.3 mm-40 -60.98 -30.18 70.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.027 0.442 . . . . 0.0 110.617 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -70.7 -38.75 73.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.782 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.89 -36.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.766 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.6 mm-40 -50.05 -52.28 35.65 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.389 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -74.07 -37.07 64.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.687 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD11 ' HD2' ' A' ' 65' ' ' LYS . 30.8 tp -56.43 -50.21 72.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.243 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.81 55.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.76 -33.36 11.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.336 0.588 . . . . 0.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -94.39 1.86 55.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.274 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.04 46.92 93.58 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.521 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -123.66 21.64 9.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.213 0.53 . . . . 0.0 110.258 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -74.61 79.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.211 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -92.4 140.82 24.27 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -51.24 -32.12 39.59 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.011 2.474 . . . . 0.0 113.584 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -59.73 -32.76 70.85 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.071 0.463 . . . . 0.0 110.804 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 10.2 mttm -72.47 -35.78 68.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 109.704 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.43 -34.28 60.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.93 -40.63 96.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.01 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.33 75.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.881 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.0 mt -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.642 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.88 -52.45 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.218 0.533 . . . . 0.0 110.21 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.1 mtm -68.94 -49.33 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 72' ' ' ARG . 27.8 mtt180 -56.53 -48.46 77.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.603 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.83 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 -52.4 62.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.086 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -69.52 -29.37 66.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -67.1 -36.98 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.642 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -77.38 -30.43 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.412 . . . . 0.0 110.183 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -56.14 -45.18 79.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.422 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 0.0 110.796 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.33 -44.78 90.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.504 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.25 -25.83 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.689 -179.229 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.46 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 29.6 t . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.654 0.264 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -47.88 65.32 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t -52.92 -39.62 62.94 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.542 0.526 . . . . 0.0 111.172 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.52 -43.97 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.381 0.61 . . . . 0.0 110.127 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.702 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.6 mtmm -75.98 -38.35 57.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.449 -174.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.254 0.549 . . . . 0.0 110.511 174.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.8 m -70.12 -23.19 62.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.269 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -69.86 -33.06 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 101' ' ' MET . 62.7 mt -71.6 -48.66 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -61.88 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.258 -175.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 p -69.02 -44.67 72.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.358 0.599 . . . . 0.0 110.119 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.94 -36.21 80.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.895 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.606 ' SD ' HG22 ' A' ' 97' ' ' ILE . 25.8 mtp -66.0 -48.25 71.82 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.4 t -59.58 -49.18 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.237 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 29.7 t30 -60.29 -40.46 90.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.423 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.29 85.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.31 . . . . 0.0 111.487 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.501 0.667 . . . . 0.0 109.313 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.434 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 14.1 tp -61.29 -25.55 67.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.163 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 54.4 mm-40 -94.75 -27.27 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 111.236 -177.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 p -84.75 -58.77 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.726 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 t -103.2 -19.61 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 0.0 110.891 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 95.35 -11.26 69.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 175.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.3 t -127.01 148.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.52 117.6 51.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -53.18 -53.89 50.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.774 -1.103 . . . . 0.0 113.513 -171.244 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.7 Cg_endo -43.55 -42.75 11.18 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 123.752 2.968 . . . . 0.0 115.337 -171.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -73.65 -23.27 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.146 -0.346 . . . . 0.0 111.552 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.9 mt -73.6 -31.59 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 110.154 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -66.16 -39.22 89.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.691 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.1 mt-10 -65.6 -55.17 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.953 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.79 -47.23 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.624 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 12.4 p -59.99 -43.11 95.37 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -174.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -69.23 -36.62 77.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.8 mp -68.59 -41.33 79.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' ILE . 83.8 t -57.94 -50.96 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 t -56.35 -42.74 78.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.166 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 49.3 ttp -77.06 -52.82 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.048 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.38 -26.03 65.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.95 -53.61 53.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 0.0 111.038 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 120.828 0.347 . . . . 0.0 111.042 -178.325 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.503 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 4.6 m . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.0 Cg_endo -57.68 -14.18 16.5 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.917 2.412 . . . . 0.0 113.142 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -100.43 19.5 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.072 0.463 . . . . 0.0 109.89 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -70.08 -33.95 72.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.481 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -147.14 150.42 38.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.541 -175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 52.8 Cg_exo -53.73 -50.39 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.968 2.445 . . . . 0.0 111.543 173.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.66 41.89 2.59 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.959 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.98 -55.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.16 -42.02 65.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.614 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.56 -35.35 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.526 -177.345 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -64.77 -37.69 88.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.018 0.437 . . . . 0.0 110.178 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.73 -50.44 72.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.866 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.73 -35.6 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.741 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -62.56 -54.21 43.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -64.7 -31.36 72.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.617 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 63.8 t80 -58.94 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.511 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.68 -40.67 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.996 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.25 -31.75 73.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.296 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.57 -42.15 14.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.396 173.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.45 -36.03 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.045 0.538 . . . . 0.0 111.228 -178.121 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -72.41 -7.08 47.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.698 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -106.92 0.04 23.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 23.3 mmt -98.08 133.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.301 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.27 143.55 25.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.46 2.107 . . . . 0.0 111.941 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.7 -28.1 6.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.611 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -109.02 -165.84 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -161.41 170.63 19.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.52 68.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.226 0.329 . . . . 0.0 111.479 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -58.87 -46.61 87.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 80' ' ' ILE . 1.9 mp0 -64.34 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.119 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD11 HD12 ' A' ' 27' ' ' LEU . 9.1 mp -69.18 -34.02 74.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.641 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.0 -51.26 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.85 0.357 . . . . 0.0 110.29 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 m-20 -62.06 -42.78 99.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.506 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.72 -37.33 86.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.672 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 47.1 t -63.92 -45.01 91.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.4 m -59.53 -44.13 93.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.07 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.4 mm -66.43 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.166 0.508 . . . . 0.0 110.076 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.49 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.577 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.9 mm-40 -66.88 -40.1 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.491 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -61.21 -36.71 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.981 0.42 . . . . 0.0 110.14 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.5 tpp -64.51 -57.2 9.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.9 t -57.26 -46.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.524 -176.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -62.92 -30.5 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 111.616 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -76.55 -31.3 57.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.901 0.381 . . . . 0.0 110.327 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.63 -38.82 79.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.7 mm100 -55.83 -40.14 72.4 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.51 175.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.8 m -70.42 -43.13 70.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.895 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.64 -43.4 93.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.422 0.154 . . . . 0.0 111.313 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.82 61.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.94 0.4 . . . . 0.0 111.624 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.89 -31.83 13.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.392 0.615 . . . . 0.0 109.812 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -85.41 -14.83 45.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.624 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.43 29.11 71.83 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.4 34.76 5.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.208 . . . . 0.0 111.389 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.531 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 1.7 m -65.78 -70.87 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.689 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.448 ' HB2' ' HD2' ' A' ' 63' ' ' PRO . 88.3 p 50.8 160.46 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 124.567 1.147 . . . . 0.0 112.817 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 62' ' ' SER . 42.0 Cg_endo -69.11 -15.74 39.76 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 121.627 1.551 . . . . 0.0 112.116 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.654 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.1 t-20 -74.76 -39.59 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.728 -175.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.531 ' HD3' ' O ' ' A' ' 61' ' ' THR . 0.8 OUTLIER -69.05 -39.49 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -39.4 92.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.236 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -68.06 -34.12 75.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.103 0.478 . . . . 0.0 110.286 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.59 -43.3 60.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.572 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.1 mt -60.32 -33.54 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.209 176.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.08 -42.96 73.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.291 0.567 . . . . 0.0 111.024 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.4 mtm -79.49 -44.9 20.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.538 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.53 -31.32 70.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.44 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -64.03 -44.31 92.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 0.0 110.691 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.76 88.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.311 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.3 p -72.21 -36.57 69.2 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -65.66 -38.36 89.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.8 mtm -69.89 -33.96 72.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.159 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.87 83.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.95 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 75' ' ' SER . 68.7 mm-40 -56.93 -45.4 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 0.0 110.293 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.541 HG22 ' HG3' ' A' ' 37' ' ' GLN . 83.9 mt -68.91 -45.71 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.004 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.25 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.652 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.718 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.8 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.766 0.317 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.1 tp -86.31 -26.97 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.971 0.415 . . . . 0.0 110.307 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -57.09 -44.65 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.3 m -76.46 -30.65 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.151 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' SER . 64.6 mttp -61.36 -46.42 90.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.3 p -60.3 -45.09 94.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.817 0.341 . . . . 0.0 111.524 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -34.49 78.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -65.77 -39.84 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.746 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 101' ' ' MET . 68.3 mt -65.32 -43.92 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 0.0 110.059 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -59.71 -46.37 89.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.998 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -69.06 -44.2 73.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.022 0.439 . . . . 0.0 110.6 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.66 92.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.963 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.8 mtm -67.32 -44.8 78.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t -57.62 -46.29 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.263 0.554 . . . . 0.0 109.885 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 16.4 t30 -62.26 -39.73 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.04 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.56 81.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.712 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.431 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 17.3 t80 -70.68 -30.57 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.492 0.663 . . . . 0.0 109.349 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 106' ' ' LEU . 11.5 tp -61.85 -25.97 67.85 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.575 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 48.5 mm-40 -96.77 -12.94 23.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.491 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.7 p -99.17 -31.01 11.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.043 0.449 . . . . 0.0 110.982 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.9 p -123.96 -42.26 2.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.6 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.83 -1.93 38.77 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 t -120.54 156.48 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.43 122.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.673 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -101.56 101.44 12.01 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -78.88 -46.17 1.79 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.23 -50.69 5.29 Favored 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 123.106 2.537 . . . . 0.0 114.363 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.22 -40.72 86.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 31.6 mt -61.97 -37.68 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -60.41 -50.88 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.62 -47.45 84.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.93 -51.94 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.46 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 98' ' ' ALA . 31.7 p -58.91 -43.01 90.96 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.34 -30.54 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.116 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 mp -75.53 -37.87 59.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.999 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.5 t -55.47 -52.3 48.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.08 0.467 . . . . 0.0 110.059 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -57.37 -50.35 73.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.974 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.5 ttp -64.29 -49.57 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.788 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -70.81 -28.61 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.18 81.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 111.668 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -176.833 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.526 ' HB ' HG23 ' A' ' 11' ' ' THR . 1.5 m . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' HG22 ' A' ' 8' ' ' THR . 72.3 Cg_endo -75.61 -12.81 20.33 Favored 'Trans proline' 0 CA--C 1.526 0.093 0 C-N-CA 122.699 2.266 . . . . 0.0 113.527 -172.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.437 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.3 m95 -103.59 13.03 34.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.129 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.526 HG23 ' HB ' ' A' ' 8' ' ' THR . 9.5 p -75.74 -54.39 7.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.0 111.243 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.46 135.31 19.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.894 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -64.39 -36.29 45.54 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.417 2.078 . . . . 0.0 111.879 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.29 69.92 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.485 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.82 -46.01 73.06 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.97 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.096 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.75 -52.51 64.73 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.603 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -68.52 -36.76 79.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.378 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -59.53 -50.0 75.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.434 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 18.9 mmt -64.07 -31.27 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.9 m-80 -68.3 -53.85 21.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.602 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.4 m -63.42 -29.21 70.54 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.019 0.438 . . . . 0.0 110.658 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.58 -51.38 70.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.301 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mmt -71.07 -32.48 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.84 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 55.4 mt-30 -58.2 -33.13 68.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 110.347 176.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -90.25 -40.9 5.66 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.182 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.3 -34.91 74.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.595 0.358 . . . . 0.0 110.842 -177.205 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -69.79 -8.22 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -118.76 12.96 13.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.044 0.45 . . . . 0.0 110.761 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -94.16 138.31 22.6 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.05 139.55 39.49 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.91 2.406 . . . . 0.0 113.009 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.6 -39.94 2.63 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.714 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 95.8 m-85 -88.91 -175.97 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.0 t -156.76 168.37 27.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.942 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.11 68.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -65.87 -37.69 86.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -74.54 -34.91 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.822 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 34' ' ' THR . 91.0 mt -65.15 -39.64 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.63 -49.68 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.773 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.37 -49.38 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.934 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.376 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.9 t -64.56 -36.83 85.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.895 -178.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.2 m -65.46 -41.35 93.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' A' ' 76' ' ' SER . 42.2 mm -66.61 -37.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.123 0.487 . . . . 0.0 109.845 177.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -58.09 -38.9 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.549 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.3 mm-40 -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.575 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t -62.19 -37.27 84.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.249 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 mtp -68.57 -48.21 64.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.2 t -57.54 -47.84 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.962 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -64.37 -26.31 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 t -76.77 -46.92 23.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.71 -30.33 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.136 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.7 mm-40 -50.53 -39.46 49.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.265 176.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -96.94 -37.98 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.83 -42.43 93.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.73 0.3 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.42 -13.27 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.681 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.54 -31.0 15.38 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -83.01 -4.81 58.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.638 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.62 31.96 81.68 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.572 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -110.85 19.09 18.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.553 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 10.0 t -99.72 68.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.342 1.068 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -74.35 159.61 83.26 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.27 -32.36 10.48 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.512 2.808 . . . . 0.0 113.3 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -60.52 -34.41 74.06 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.456 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -65.7 -45.63 82.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -31.66 71.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.53 -42.71 99.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.64 -48.6 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.788 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 2.7 pp -68.96 -21.51 64.18 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.022 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.524 ' N ' HD12 ' A' ' 69' ' ' LEU . 21.0 t-20 -51.73 -49.24 62.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.207 0.527 . . . . 0.0 109.753 175.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.4 mtm -66.09 -54.06 30.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.389 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 72' ' ' ARG . 30.5 mmt180 -67.23 -30.01 69.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.18 -176.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -61.71 -54.75 38.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.8 82.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.672 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 24.9 p -73.61 -22.61 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 44' ' ' ILE . 79.9 p -68.93 -39.27 79.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.332 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.38 -28.7 64.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.124 174.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.9 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 75' ' ' SER . 7.6 mm-40 -54.74 -31.75 58.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.454 0.645 . . . . 0.0 111.033 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.0 mt -93.0 -47.02 13.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.341 -177.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.79 63.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.176 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 111.068 179.149 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.519 ' HB3' ' OG1' ' A' ' 92' ' ' THR . 40.4 t . . . . . 0 C--O 1.235 0.3 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.72 -32.5 73.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.138 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 89' ' ' SER . 28.5 m -65.12 -43.67 91.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.51 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.2 mtmm -81.58 -23.79 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.132 -172.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 p -68.77 -38.65 80.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.4 m -68.35 -38.15 81.16 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.358 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 72.7 m -54.58 -49.48 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.589 177.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.581 HG22 ' SD ' ' A' ' 101' ' ' MET . 66.2 mt -60.5 -49.51 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.59 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.684 -176.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -68.48 -40.42 80.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.47 -36.87 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.669 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.581 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.4 mtp -66.07 -48.6 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.686 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.95 -46.71 88.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.4 t30 -62.11 -36.6 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.112 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.92 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.228 . . . . 0.0 110.956 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 31.9 m-85 -58.2 -44.1 87.94 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.277 0.56 . . . . 0.0 110.094 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.53 -32.47 74.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.532 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 29.5 mm-40 -73.7 -33.52 64.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 p -96.28 -70.14 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 t -100.48 -17.95 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.745 -173.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.55 -15.13 62.17 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.883 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 5.2 t -115.25 139.82 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -100.97 138.46 25.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.195 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -84.51 110.64 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.5 tp60 -79.31 -51.47 1.25 Allowed Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 9.9 Cg_endo -50.7 -52.88 8.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 123.024 2.483 . . . . 0.0 114.448 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -74.34 -28.12 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.473 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.6 mt -64.73 -31.03 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.986 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -70.41 -18.05 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 22.1 mt-10 -96.48 -53.12 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -49.68 -47.42 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 123.336 0.397 . . . . 0.0 111.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -56.02 -48.69 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -68.74 -34.68 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.491 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.4 mt -66.91 -45.09 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 120' ' ' ILE . 97.6 t -53.45 -52.33 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.002 0.429 . . . . 0.0 110.111 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -57.92 -52.38 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.355 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.22 -47.56 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.727 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -67.94 -37.83 82.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.679 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.55 98.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 111.448 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.714 -176.525 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.512 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 6.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.8 Cg_endo -56.0 -15.59 14.14 Favored 'Trans proline' 0 N--CA 1.476 0.466 0 C-N-CA 123.31 2.673 . . . . 0.0 113.721 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.536 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 8.7 m95 -100.49 3.4 42.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.833 -176.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -67.25 -24.26 65.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.139 0.495 . . . . 0.0 110.735 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.483 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.5 t30 -140.98 131.72 13.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.054 177.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 19.0 Cg_endo -63.26 -31.32 74.05 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.441 2.761 . . . . 0.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.77 88.12 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.27 -46.42 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.55 -40.64 83.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.196 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.39 -59.08 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -64.49 -35.77 82.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.42 -48.8 80.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.717 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.0 mmt -64.67 -33.17 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 111.043 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -65.91 -54.53 25.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.813 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -64.05 -31.7 72.99 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.773 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.31 -53.25 59.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.395 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 2.5 mmt -64.38 -38.08 89.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -56.78 -43.88 81.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.277 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.69 -35.97 38.94 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.827 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.83 -32.83 74.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.611 0.243 . . . . 0.0 110.836 -176.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 p -72.94 -4.13 30.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.736 0.303 . . . . 0.0 111.744 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -113.56 7.42 17.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.283 0.564 . . . . 0.0 109.842 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.598 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.1 mmt -93.0 145.0 29.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.336 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.26 130.81 9.36 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.822 2.348 . . . . 0.0 111.629 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 133.99 -41.03 1.51 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.648 176.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.87 -171.01 1.82 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 111.523 -175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 12.1 t -152.89 169.98 21.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.36 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.257 0.348 . . . . 0.0 111.48 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 t -61.77 -43.47 98.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.79 -31.67 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 34' ' ' THR . 95.2 mt -68.17 -39.56 82.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.693 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.95 -47.8 79.83 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.343 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.051 178.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.9 ttm -61.7 -43.02 99.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 39.2 t -61.07 -42.54 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.341 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -61.61 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.243 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.8 mm -64.94 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.67 -36.34 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.665 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.2 mm-40 -64.4 -41.74 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.1 p -67.62 -25.2 65.63 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.555 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 52' ' ' ILE . 53.8 mtp -75.09 -50.85 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.235 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 57.9 t -60.41 -44.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -65.88 -27.09 67.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.797 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.7 m -76.45 -37.1 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.231 0.538 . . . . 0.0 110.135 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 48' ' ' MET . 62.9 mt -71.97 -29.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.317 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.0 mm-40 -54.49 -41.37 69.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.149 0.499 . . . . 0.0 109.911 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -73.02 -38.26 66.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.532 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.14 -42.59 91.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.563 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.895 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.12 26.48 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.721 0.772 . . . . 0.0 108.943 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.63 -13.35 54.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.799 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.39 41.32 96.56 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 23.9 8.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.086 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.9 58.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.559 0.695 . . . . 0.0 110.726 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.9 t -80.76 146.95 61.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.692 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.2 -24.59 11.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.167 2.578 . . . . 0.0 113.041 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 t-20 -68.68 -24.29 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.935 0.397 . . . . 0.0 111.389 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.2 mptt -81.77 -33.96 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 7.0 mp -77.7 -27.26 50.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.07 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -66.13 -33.4 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.371 0.605 . . . . 0.0 109.878 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.74 63.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.116 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.6 mt -74.14 -3.45 29.77 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.962 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -88.81 -61.09 1.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.0 mtm -62.52 -50.27 72.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.605 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.97 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.336 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -59.99 -44.28 94.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.209 0.528 . . . . 0.0 109.837 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.388 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.9 p -71.14 -36.81 72.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.9 m -63.52 -38.09 89.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.851 0.357 . . . . 0.0 110.938 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -71.4 -32.88 68.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.852 0.358 . . . . 0.0 110.19 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.56 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.016 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 75' ' ' SER . 43.6 mt-10 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.586 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.24 -44.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.77 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.29 67.85 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.328 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.274 0 O-C-N 123.612 0.57 . . . . 0.0 111.621 177.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' THR . 56.9 tp -56.31 -38.18 70.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.656 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 p -56.33 -35.44 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.871 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 m -82.76 -37.15 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.445 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 43.8 mttt -59.57 -56.96 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.879 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.5 t -57.68 -39.39 77.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 111.836 -173.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.7 m -68.11 -34.26 76.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.906 0.384 . . . . 0.0 110.957 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.598 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 66.2 m -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.6 HG22 ' SD ' ' A' ' 101' ' ' MET . 69.6 mt -58.71 -50.21 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 0.0 110.013 176.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -60.7 -40.05 90.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.635 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -63.27 -39.45 94.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 0.0 110.043 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.73 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.652 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.6 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.5 mtp -63.63 -46.44 85.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.112 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -58.69 -49.71 76.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.338 0.59 . . . . 0.0 110.047 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.1 t30 -61.22 -41.78 97.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.507 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.38 93.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.5 -31.06 69.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.535 0.684 . . . . 0.0 109.382 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.63 -24.9 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.046 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.8 mm-40 -96.49 -15.87 21.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.559 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -93.14 -58.97 2.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.982 0.42 . . . . 0.0 111.481 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -109.72 -11.66 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.28 61.96 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.074 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.07 157.1 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.18 126.1 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.512 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 20.7 t-20 -107.49 123.79 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.488 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 28.3 tp60 -82.24 -56.96 0.51 Allowed Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.512 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 25.3 Cg_exo -61.1 -30.89 90.01 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.185 1.923 . . . . 0.0 113.995 -167.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -68.14 -30.13 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 0.0 110.069 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.55 -33.05 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.995 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.05 -46.44 84.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.382 176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.444 ' O ' HD13 ' A' ' 123' ' ' LEU . 47.5 mt-10 -58.95 -52.45 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.045 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -54.49 -53.59 29.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.627 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 4.6 p -59.33 -44.79 92.59 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -173.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -64.86 -32.72 74.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.996 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -77.94 -37.34 47.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.316 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.7 t -52.67 -61.74 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.78 0.8 . . . . 0.0 110.026 175.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 75.4 m -57.88 -37.19 73.51 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.858 -177.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -72.51 -50.47 25.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.398 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -69.35 -24.97 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.71 0.291 . . . . 0.0 111.5 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.476 0.655 . . . . 0.0 110.888 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 125' ' ' SER . 76.6 mm-40 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.037 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.444 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 20.3 Cg_endo -61.41 -17.67 54.79 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.839 2.359 . . . . 0.0 112.314 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -89.85 3.95 51.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.947 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -71.74 -27.18 62.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.036 0.445 . . . . 0.0 110.669 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.445 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 9.4 t30 -137.26 129.69 16.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.934 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 10.7 Cg_endo -59.53 -30.33 92.18 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 123.254 2.636 . . . . 0.0 111.825 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.98 94.27 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 tp -70.86 -39.09 73.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.686 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.34 -52.09 66.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.425 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.47 -46.56 88.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.653 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.532 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.2 m-20 -56.74 -44.22 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HA ' HG21 ' A' ' 108' ' ' THR . 50.8 t80 -59.92 -48.46 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.686 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 14.1 mmm -68.0 -39.06 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.294 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -59.93 -47.47 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.9 t -68.19 -29.47 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.569 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.8 t80 -59.03 -49.6 77.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.0 mmm -63.95 -36.34 83.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.768 -176.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.18 -31.24 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.42 -25.43 30.75 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.019 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.533 0.206 . . . . 0.0 111.243 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -67.83 -13.99 62.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.249 0.547 . . . . 0.0 110.986 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -93.83 0.5 56.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.998 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.439 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 20.5 mmt -100.54 120.93 54.74 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.671 -176.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.21 2.18 7.02 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.11 2.54 . . . . 0.0 113.05 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.43 -18.57 73.47 Favored Glycine 0 C--N 1.309 -0.948 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.575 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -126.98 175.26 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.093 0.473 . . . . 0.0 111.067 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.462 HG22 ' HG3' ' A' ' 37' ' ' GLN . 7.2 t -125.89 168.73 13.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.604 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.508 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.47 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 34' ' ' THR . 3.5 mm-40 -60.27 -41.1 92.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.372 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -37.86 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -50.13 73.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.239 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.9 m-20 -64.77 -46.15 83.35 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.459 ' SD ' ' HE2' ' A' ' 23' ' ' PHE . 46.6 ttm -58.83 -44.12 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.611 -175.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 8.2 t -61.27 -45.36 94.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.971 0.415 . . . . 0.0 110.084 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.7 m -65.87 -43.22 88.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.344 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 40' ' ' ASP . 50.9 mm -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.25 0.547 . . . . 0.0 110.137 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 48' ' ' MET . . . -57.7 -39.71 77.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.731 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 42' ' ' SER . 13.3 mm-40 -68.62 -25.06 64.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.721 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -64.09 -43.75 94.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.594 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.7 ppp? -75.93 -26.74 57.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.844 0.354 . . . . 0.0 110.132 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 45' ' ' ALA . 80.9 t -65.79 -42.35 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.438 . . . . 0.0 110.379 174.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 13.9 mm100 -68.73 -16.12 63.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -75.36 -42.69 53.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.76 -29.61 47.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CG ' ' HA ' ' A' ' 50' ' ' GLN . 82.6 mm-40 -49.18 -51.19 34.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 176.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -79.09 -36.48 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.7 -52.26 65.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.629 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.54 -11.64 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.213 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.88 -29.92 13.43 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.087 0.47 . . . . 0.0 109.862 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -89.96 -11.65 41.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 37.87 40.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.614 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -108.86 12.77 25.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -69.64 95.16 0.84 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.766 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -108.52 150.88 41.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.279 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.0 -40.67 58.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.124 2.549 . . . . 0.0 112.496 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -55.77 -43.33 76.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 32.1 mttt -70.21 -41.48 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.506 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.68 -36.67 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -64.22 -34.3 77.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.503 . . . . 0.0 110.09 175.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -72.56 -45.85 57.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.63 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.9 mt -58.2 -32.2 68.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.2 t-20 -53.69 -53.27 54.38 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.526 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 71.9 mtm -74.6 -41.54 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.201 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 7.3 mmm180 -61.87 -41.75 98.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.586 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -58.5 -52.29 66.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.171 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.82 72.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.357 . . . . 0.0 111.666 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.9 p -73.15 -20.74 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 86.7 p -68.79 -41.72 78.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.061 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -71.12 -30.68 66.81 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.74 95.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.218 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -53.15 -43.38 66.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.334 0.588 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 82.1 mt -78.7 -46.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.256 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.9 -21.57 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 179.402 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.282 0.563 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.4 tp -99.47 -36.55 9.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.995 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -67.63 -30.82 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -66.96 -30.1 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.208 0.527 . . . . 0.0 110.082 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 97' ' ' ILE . 52.1 mttp -73.14 -50.07 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.34 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.504 HG21 ' OG ' ' A' ' 125' ' ' SER . 20.2 p -62.12 -36.93 83.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.55 -177.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 m -67.2 -42.39 84.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.28 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' A' ' 30' ' ' MET . 8.0 p -72.46 -34.28 67.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.175 -176.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 101' ' ' MET . 73.3 mt -55.52 -49.74 71.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.553 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -67.97 -42.75 80.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.14 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 97' ' ' ILE . 3.4 ttp -67.69 -42.76 81.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.316 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -61.99 -46.65 88.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.307 0.575 . . . . 0.0 109.924 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.588 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.9 t30 -58.98 -38.81 79.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.944 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.58 -26.97 66.54 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.468 0.652 . . . . 0.0 109.494 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 37.4 mt -69.36 -28.98 66.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.623 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.6 mm-40 -92.72 -12.91 30.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 111.191 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 18' ' ' ASN . 10.5 p -99.68 -39.43 8.27 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -143.28 3.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.616 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.66 71.54 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.487 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -131.29 157.27 43.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -113.67 107.19 22.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.035 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.9 t-20 -87.3 81.02 8.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.404 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.2 tp60 -59.67 -47.05 98.45 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.212 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.3 Cg_exo -45.16 -51.04 8.2 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.671 2.247 . . . . 0.0 113.678 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.01 -35.82 72.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.717 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 113' ' ' ASN . 17.5 mt -62.95 -35.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.2 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.615 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 78.2 m-20 -62.68 -47.2 84.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.388 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.7 mt-10 -62.71 -53.99 46.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.809 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.54 -49.06 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.012 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.5 p -59.62 -38.18 80.62 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -66.74 -39.31 87.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 109.942 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 79.8 mt -70.41 -37.87 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.998 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 120' ' ' ILE . 47.9 t -52.46 -61.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.045 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.504 ' OG ' HG21 ' A' ' 94' ' ' THR . 29.0 m -54.07 -45.66 71.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.07 -51.59 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -66.3 -32.6 74.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.82 63.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.771 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.383 -179.178 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.4 -14.94 42.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 121.628 1.552 . . . . 0.0 111.726 174.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -102.69 10.98 38.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -60.09 -40.19 88.72 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.219 0.533 . . . . 0.0 111.402 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -132.49 143.66 49.72 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.748 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -57.42 -43.27 53.23 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.127 2.551 . . . . 0.0 112.133 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.8 93.52 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.877 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -57.9 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.48 -46.87 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.049 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 42.6 tt0 -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -77.33 -28.99 53.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -62.44 -58.68 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.616 ' HE1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -73.86 -21.31 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.896 -177.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -59.94 -58.51 8.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 172.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 p -66.97 -30.54 70.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.517 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.556 ' HB3' ' HA ' ' A' ' 20' ' ' MET . 67.8 t80 -54.45 -52.13 62.81 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.307 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.064 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.01 -33.33 75.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.582 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -85.73 -35.21 11.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.029 175.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -61.51 -37.07 82.36 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.233 0.613 . . . . 0.0 110.192 -179.113 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 38' ' ' LEU . 5.6 p -71.66 -12.59 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -100.62 -0.27 37.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.048 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.6 mmt -92.94 133.2 29.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.908 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -70.29 115.47 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.397 2.065 . . . . 0.0 111.757 174.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.85 -53.51 0.49 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.991 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 54.0 m-85 -83.78 131.84 34.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.372 0.606 . . . . 0.0 112.32 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -84.53 158.6 20.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.569 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.38 70.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.707 0.289 . . . . 0.0 111.528 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -66.11 -35.16 79.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -42.45 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 109.614 175.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 28' ' ' SER . 8.6 tp -57.25 -42.88 82.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.11 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.77 -43.82 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.332 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -68.74 -44.58 73.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.759 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -58.75 -40.58 84.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.978 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.62 -36.59 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.416 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -76.59 -38.8 54.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.3 mm -64.55 -38.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.046 0.45 . . . . 0.0 110.228 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.5 -32.07 64.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.177 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -64.74 -32.62 74.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 m -64.84 -40.97 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.616 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 48.6 tpp -65.63 -45.34 83.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.249 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.7 t -55.56 -50.55 65.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.28 -36.93 78.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.535 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 39.0 m -64.91 -44.61 89.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.182 0.515 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.37 -34.67 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.162 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.19 -45.89 83.34 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -67.6 -37.86 83.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.97 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 51' ' ' SER . 64.4 mt -59.07 -45.25 91.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.755 0.312 . . . . 0.0 111.499 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.32 -23.7 43.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.914 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.95 -30.32 18.89 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.419 0.628 . . . . 0.0 109.479 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.548 ' HB3' HH11 ' A' ' 60' ' ' ARG . 27.3 mt-30 -94.94 -6.58 42.18 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.77 50.04 67.55 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.948 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.548 HH11 ' HB3' ' A' ' 58' ' ' GLN . 74.7 mtt85 -128.12 16.36 6.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 111.559 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -72.95 111.31 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.151 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 65' ' ' LYS . 7.8 m -128.66 153.24 79.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.826 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.63 -41.39 74.27 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.139 2.559 . . . . 0.0 113.015 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -65.45 -35.99 82.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.086 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 24.3 mttp -64.19 -46.45 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.195 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.9 mt -69.0 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.909 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.18 -32.18 68.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 68.7 mt -63.06 -31.86 73.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' A' ' 119' ' ' GLU . 31.9 t-20 -55.21 -58.65 6.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.91 -43.05 99.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.51 -45.24 94.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.2 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.54 -47.07 86.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 123' ' ' LEU . . . -62.06 -55.24 31.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.579 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 16.1 p -61.44 -42.11 98.25 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 p -62.24 -39.59 93.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.651 0.262 . . . . 0.0 111.145 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.7 mtm -71.22 -37.65 72.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 110.183 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.07 92.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.498 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 75' ' ' SER . 50.2 mt-10 -56.0 -44.86 79.03 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.026 0.441 . . . . 0.0 110.934 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -62.9 -49.86 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -28.24 69.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.585 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.232 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 24.2 t . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 121.035 0.445 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -35.59 80.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -174.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.6 m -52.19 -31.33 31.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.588 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.3 m -91.0 -33.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.031 0.443 . . . . 0.0 110.78 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.4 mtmm -75.9 -31.66 59.29 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -63.58 -24.88 67.99 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.321 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -87.71 -38.11 16.11 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.766 0.317 . . . . 0.0 111.312 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -64.5 -32.7 74.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.703 -176.409 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.522 HG22 ' SD ' ' A' ' 101' ' ' MET . 71.8 mt -59.05 -52.79 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.476 176.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.04 72.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.554 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -71.29 -40.31 70.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.46 74.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.768 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.522 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.3 mtp -63.87 -41.73 97.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.0 m -61.14 -44.85 96.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.479 0.656 . . . . 0.0 110.024 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.654 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -68.21 -35.01 77.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.704 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.95 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 3.4 t80 -65.83 -30.96 71.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 109.463 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.51 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 9.7 tp -63.63 -22.74 67.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.131 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 58.2 mm-40 -96.89 -28.2 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.687 0.279 . . . . 0.0 111.375 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 p -81.63 -54.15 5.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.015 0.436 . . . . 0.0 111.678 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -115.46 -7.88 12.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 80.59 15.26 78.41 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.758 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.6 t -128.41 155.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.1 114.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.445 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 18.1 t-20 -90.12 90.34 8.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.638 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 22.2 tp60 -65.48 -45.61 68.85 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.491 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.3 Cg_endo -44.82 -47.33 11.84 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.335 2.69 . . . . 0.0 113.843 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.417 ' HB2' ' OD1' ' A' ' 113' ' ' ASN . 7.3 t80 -71.95 -33.95 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 110.457 -173.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.18 -35.06 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 24.1 m-80 -61.89 -31.37 71.66 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.425 ' O ' HD22 ' A' ' 123' ' ' LEU . 45.9 mt-10 -75.95 -54.06 7.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -177.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.9 -45.64 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -57.03 -33.51 67.27 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 12.2 mm100 -67.96 -45.55 73.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 74' ' ' ALA . 1.3 mm? -72.04 -30.17 64.91 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.706 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.3 t -60.29 -55.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.182 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.1 t -58.17 -39.38 78.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.527 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.9 mtp -66.05 -66.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.916 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 42.7 m-85 -67.11 -27.23 67.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.246 -170.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.1 -58.62 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.153 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.259 -177.518 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 14.5 Cg_endo -56.27 -23.57 46.54 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.293 2.662 . . . . 0.0 113.676 -176.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.466 ' HB2' HD22 ' A' ' 66' ' ' LEU . 6.8 m95 -94.88 14.97 19.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.354 -0.216 . . . . 0.0 111.404 -173.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -69.92 -44.02 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 111.665 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -130.84 144.46 53.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.573 0.225 . . . . 0.0 110.869 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 56' ' ' ALA . 51.8 Cg_exo -57.3 -35.46 98.88 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.033 2.489 . . . . 0.0 111.475 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.95 8.76 13.91 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.39 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.93 -57.76 1.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -44.34 -55.47 4.93 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.53 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' HG11 ' A' ' 49' ' ' VAL . 10.0 tp10 -68.21 -44.68 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.221 -175.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.16 -36.23 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.752 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -57.54 -46.51 83.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 24.5 mmt -64.79 -38.89 92.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.093 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.604 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 11.6 m-80 -62.49 -53.12 59.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -65.5 -33.08 75.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.847 0.355 . . . . 0.0 110.784 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 20' ' ' MET . 53.0 t80 -55.13 -55.63 28.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.398 174.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.05 -31.06 70.45 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.523 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.604 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.7 mt-30 -60.98 -41.78 97.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.241 0.543 . . . . 0.0 110.149 175.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.74 -40.4 26.58 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.842 177.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.74 -38.98 93.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.494 0.188 . . . . 0.0 111.459 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 p -67.44 -12.88 61.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 m -100.31 -0.36 38.58 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.373 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 19.6 mmt -94.85 127.27 43.85 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.69 120.69 7.07 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.248 1.965 . . . . 0.0 111.585 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.19 -31.74 0.72 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.642 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -102.39 -169.14 1.63 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 38' ' ' LEU . 15.3 t -148.05 169.23 20.4 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -38.85 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -63.16 -43.39 98.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.241 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 80' ' ' ILE . 2.3 mp0 -66.82 -42.17 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 34' ' ' THR . 7.3 mp -58.99 -44.7 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.755 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.08 -52.82 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.538 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.563 ' O ' HG12 ' A' ' 44' ' ' ILE . 18.4 m-20 -66.32 -46.48 76.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.699 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 77' ' ' MET . 52.6 tpp -58.24 -41.41 84.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.988 0.423 . . . . 0.0 110.95 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.1 t -67.34 -38.94 85.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.196 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.4 m -69.72 -41.19 75.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.961 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 40' ' ' ASP . 48.8 mm -63.7 -31.4 52.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.454 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.06 -64.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.431 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 2.5 mp0 -51.4 -36.77 44.98 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.657 174.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.28 -40.28 93.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.591 0.234 . . . . 0.0 111.187 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 3.9 ppp? -80.72 -29.49 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 45' ' ' ALA . 83.3 t -67.5 -26.19 35.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.724 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 79.2 mm-40 -58.39 -36.2 73.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.354 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 p -78.92 -22.55 45.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 49' ' ' VAL . 11.5 mm -68.15 -40.42 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.405 HE21 HG12 ' A' ' 49' ' ' VAL . 79.5 mm-40 -50.12 -48.9 53.28 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 m -73.64 -36.24 65.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.931 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.02 -48.73 79.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.65 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . . . -82.71 -6.15 59.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.584 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.97 -33.59 14.79 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -80.64 -24.09 39.25 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 43.5 28.58 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.573 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 97.3 mtt180 -118.0 11.41 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.718 0.294 . . . . 0.0 111.762 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 p -69.49 105.34 2.59 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.249 0.547 . . . . 0.0 111.499 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.583 ' OG ' ' HG3' ' A' ' 65' ' ' LYS . 37.6 p -121.86 156.12 59.64 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.041 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 47.1 Cg_exo -56.53 -33.35 92.52 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.377 2.051 . . . . 0.0 111.657 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -61.86 -47.23 85.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.189 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.583 ' HG3' ' OG ' ' A' ' 62' ' ' SER . 32.2 mttm -65.03 -52.13 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.213 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 62' ' ' SER . 39.8 mt -65.45 -25.8 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER -53.93 -44.11 70.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.267 175.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.168 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.16 -28.98 69.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.63 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.293 0.568 . . . . 0.0 110.682 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.2 mtm -69.49 -40.87 76.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -56.33 -46.28 79.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.599 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.97 -46.27 89.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' A' ' 120' ' ' ILE . . . -63.47 -48.07 79.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.057 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 13.5 p -73.21 -35.17 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.431 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 12.1 p -63.52 -39.62 94.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.429 ' HG2' ' SD ' ' A' ' 41' ' ' MET . 69.8 mtm -66.19 -37.89 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.184 175.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.32 89.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.599 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.5 mt-10 -58.79 -37.79 77.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.279 0.562 . . . . 0.0 110.551 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 37' ' ' GLN . 94.0 mt -80.52 -45.9 21.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.86 -14.0 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.961 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.006 0.432 . . . . 0.0 111.209 179.277 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 121.04 0.448 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 93' ' ' LYS . 2.8 tm? -65.34 -34.38 78.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -54.89 -33.84 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.217 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -76.43 -44.17 36.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.003 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HB2' HD22 ' A' ' 90' ' ' LEU . 58.2 mttp -61.42 -53.95 49.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.087 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.8 t -58.59 -38.63 78.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.8 m -66.5 -34.44 77.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.123 0.487 . . . . 0.0 110.55 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 51.0 m -67.14 -40.96 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.696 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.576 HG22 ' SD ' ' A' ' 101' ' ' MET . 70.6 mt -58.3 -49.49 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.08 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.933 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -71.26 -35.37 71.37 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.54 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.578 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.576 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.2 mtp -68.22 -44.77 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.78 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -60.49 -47.6 85.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.883 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.6 t30 -61.28 -34.09 74.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.278 177.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.5 -47.43 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.525 0.202 . . . . 0.0 111.451 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.15 -37.41 77.21 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.282 0.563 . . . . 0.0 110.202 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.68 -27.34 67.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.337 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -93.79 -32.98 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.125 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -85.56 -39.36 17.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.646 -173.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.9 p -116.61 -32.3 5.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.54 -6.61 68.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.0 t -122.24 148.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.15 105.22 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.707 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -81.08 94.07 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.394 0.616 . . . . 0.0 109.555 177.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -75.36 -47.99 4.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -44.74 -48.8 10.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.781 2.321 . . . . 0.0 114.163 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.479 ' O ' HD13 ' A' ' 120' ' ' ILE . 90.8 m-85 -71.99 -26.51 62.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.871 -174.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 mt -67.68 -35.16 71.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.022 0.439 . . . . 0.0 110.398 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.18 -30.96 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.77 -52.05 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.817 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -58.97 -49.09 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -54.32 -48.44 71.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.19 -37.09 85.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.42 -42.8 67.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.585 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.4 t -55.59 -55.97 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.671 0.272 . . . . 0.0 110.764 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 t -57.96 -46.11 85.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.778 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.08 -52.37 49.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.545 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.436 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 25.1 m-85 -67.47 -31.0 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.585 -176.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.13 32.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.738 0.304 . . . . 0.0 111.007 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.333 -179.572 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.3 m . . . . . 0 C--O 1.225 -0.2 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 12.3 Cg_endo -55.28 -26.08 50.36 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 122.715 2.277 . . . . 0.0 113.44 -175.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.451 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 5.8 m95 -111.29 17.11 20.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.448 -174.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 8' ' ' THR . 4.6 t -77.22 -30.08 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.971 0.415 . . . . 0.0 111.331 -174.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -131.72 138.47 32.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.641 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 60.0 Cg_exo -53.65 -49.65 16.52 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.009 2.473 . . . . 0.0 111.705 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.07 74.29 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.658 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -71.24 -46.47 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.58 94.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 110.036 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.63 -50.51 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.766 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.523 ' HB3' HG22 ' A' ' 108' ' ' THR . 19.4 m-80 -70.18 -35.94 74.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.28 -51.94 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.62 -38.34 90.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.169 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.05 -60.65 2.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 174.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -66.5 -33.46 75.74 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.249 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 86.6 t80 -60.42 -53.7 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.752 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.498 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 2.2 mmt -66.83 -41.21 87.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.191 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.35 -29.99 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.335 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -84.17 -38.92 9.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.049 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.88 -35.64 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.962 0.505 . . . . 0.0 110.926 -177.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -65.97 -19.33 65.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.016 0.436 . . . . 0.0 111.621 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -99.9 3.68 44.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.384 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.1 mmt -98.12 136.92 20.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.781 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.61 141.41 31.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.359 2.039 . . . . 0.0 111.635 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.5 -28.65 3.1 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.809 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.57 -168.88 1.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.037 0.446 . . . . 0.0 111.689 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.591 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 14.7 t -152.4 175.07 13.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.133 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.02 77.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.553 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t -62.96 -40.59 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.468 . . . . 0.0 110.388 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.8 mp0 -75.22 -34.19 61.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 34' ' ' THR . 85.8 mt -66.79 -34.75 78.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 110.304 177.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.55 -39.86 94.98 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.61 -44.56 70.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.471 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 25.9 mmt -47.43 -52.63 16.38 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.266 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 56.5 m -60.97 -37.52 82.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.9 m -68.78 -42.72 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.918 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.5 mm -63.86 -40.82 90.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.46 -44.73 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.12 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.7 mm-40 -60.85 -41.0 94.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 t -60.77 -44.1 97.2 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.592 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -85.15 -30.4 24.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.902 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 40.8 t -65.79 -41.49 90.34 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.595 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -60.51 -32.88 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.858 0.361 . . . . 0.0 111.072 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.3 m -65.94 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.347 0.594 . . . . 0.0 109.857 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.61 -35.88 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.864 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.8 mm100 -55.83 -46.13 78.21 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.137 0.494 . . . . 0.0 109.722 174.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -68.52 -43.44 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.18 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 51' ' ' SER . 65.5 mt -51.58 -53.72 35.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.06 9.05 13.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.43 -33.88 6.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.89 -32.35 23.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.391 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.74 38.76 5.43 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -120.48 22.26 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.202 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -78.44 76.06 4.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.456 0.646 . . . . 0.0 110.359 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -101.26 147.08 33.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.349 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.53 -29.77 33.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.893 2.395 . . . . 0.0 112.438 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.28 -39.77 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.743 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.56 -49.92 60.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.48 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -64.51 -25.09 67.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.727 -174.439 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.0 tt0 -63.19 -34.05 76.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.209 0.528 . . . . 0.0 110.283 173.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -43.39 59.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.448 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.42 -36.75 71.76 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.444 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.4 t-20 -53.11 -52.64 58.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 0.0 110.855 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -68.57 -50.85 48.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.139 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.81 -41.45 91.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.768 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -59.37 -41.95 90.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.259 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.41 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.935 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 24.2 p -72.11 -33.91 68.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 p -67.77 -47.48 69.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.595 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.447 ' SD ' HD13 ' A' ' 97' ' ' ILE . 22.2 ptp -64.6 -25.88 68.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -69.25 -38.36 78.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 75' ' ' SER . 45.8 mt-10 -63.6 -40.57 97.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.318 0.58 . . . . 0.0 110.061 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 37' ' ' GLN . 46.6 mt -68.6 -39.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.55 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.7 -22.98 63.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.166 0.507 . . . . 0.0 110.589 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 176.633 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.365 0.603 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.7 tp -74.71 -28.84 60.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.494 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.5 m -67.07 -34.8 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -70.76 -41.37 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.236 0.541 . . . . 0.0 109.952 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -63.17 -45.49 91.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.8 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -63.47 -41.51 98.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.911 0.386 . . . . 0.0 111.542 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -71.86 -30.43 65.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 t -60.97 -55.39 33.49 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.026 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.447 HD13 ' SD ' ' A' ' 77' ' ' MET . 86.0 mt -59.14 -44.41 91.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.781 -176.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.68 -21.3 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -81.81 -34.49 30.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.53 47.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.786 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.594 ' SD ' HG12 ' A' ' 117' ' ' ILE . 24.5 ttm -60.67 -50.32 73.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.521 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.425 ' O ' HD13 ' A' ' 106' ' ' LEU . 5.4 p -59.57 -47.26 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -62.06 -34.61 76.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.557 0.217 . . . . 0.0 111.14 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 44.3 m-85 -59.0 -40.67 85.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.511 0.672 . . . . 0.0 110.079 173.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 102' ' ' SER . 7.5 mp -65.86 -30.29 70.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.244 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 28.5 mm-40 -78.6 -22.92 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.636 0.255 . . . . 0.0 111.18 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.523 HG22 ' HB3' ' A' ' 18' ' ' ASN . 7.4 p -103.08 -57.92 1.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.853 -172.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -106.04 -36.32 6.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 -172.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.57 -10.68 49.85 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.608 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 3.5 t -116.39 141.44 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.92 133.71 55.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.044 0.45 . . . . 0.0 111.03 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 117' ' ' ILE . 22.5 t-20 -96.44 103.82 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.967 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.621 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -74.66 -47.22 5.35 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.4 Cg_endo -46.51 -49.0 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.231 2.621 . . . . 0.0 114.233 -177.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.24 -35.34 76.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.617 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.594 HG12 ' SD ' ' A' ' 101' ' ' MET . 6.3 mt -63.52 -35.59 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.977 0.418 . . . . 0.0 110.341 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.73 -46.66 88.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.003 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 60.9 mt-10 -64.11 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.779 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -56.87 -54.16 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.456 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.0 p -58.73 -39.81 81.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -67.39 -40.46 85.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.761 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.7 mt -66.65 -39.52 88.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.363 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.0 t -56.99 -52.09 60.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 t -57.16 -38.69 73.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.159 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.4 ttp -79.03 -53.35 7.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.575 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.99 -29.93 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.59 98.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.022 0.439 . . . . 0.0 111.136 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -177.207 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.67 -19.76 67.9 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.904 2.402 . . . . 0.0 113.601 -174.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.436 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 5.8 m95 -97.89 17.03 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.325 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -75.99 -54.43 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.998 0.428 . . . . 0.0 111.264 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.78 135.43 22.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.58 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 51.5 Cg_exo -53.41 -43.04 60.88 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.968 2.445 . . . . 0.0 112.033 176.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.83 68.94 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.514 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.61 -44.09 24.78 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.493 -0.416 . . . . 0.0 110.03 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.61 84.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.834 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.29 -40.04 96.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.481 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.75 -37.66 70.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.864 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.369 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' HG2' ' A' ' 24' ' ' MET . 22.7 mmt -65.33 -40.31 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.471 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.557 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 14.1 m-20 -62.94 -48.44 78.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.763 0.316 . . . . 0.0 110.969 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -64.68 -33.43 75.93 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 83.9 t80 -57.22 -52.51 65.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.489 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 52.3 mmm -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.985 -177.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 90.2 mt-30 -60.28 -44.66 95.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.0 -36.73 51.28 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.04 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 -178.415 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -73.83 -4.49 35.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 111.456 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -99.02 2.79 46.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 110.302 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mmt -104.92 114.97 63.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.848 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.79 105.96 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.295 1.997 . . . . 0.0 112.461 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.61 -34.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.805 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 73.1 m-85 -98.72 150.83 21.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.485 HG22 ' NE2' ' A' ' 37' ' ' GLN . 15.4 t -97.12 171.6 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.753 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.34 84.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -61.9 -31.42 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.259 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.485 ' NE2' HG22 ' A' ' 34' ' ' THR . 1.1 mt-30 -77.79 -42.18 34.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.511 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 27' ' ' LEU . 93.2 mt -62.72 -37.68 87.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 178.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.78 -57.99 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.53 -44.39 97.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.96 -45.98 85.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.201 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.8 t -65.13 -42.82 93.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 110.362 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.6 m -62.75 -44.14 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.4 mm -65.95 -39.48 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.56 -39.54 73.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.285 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 42' ' ' SER . 22.6 mm-40 -68.22 -35.78 78.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.441 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 t -62.41 -41.93 99.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 109.785 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.5 mmm -57.44 -50.22 73.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.807 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 95.3 t -58.22 -48.51 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.315 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -58.46 -36.28 73.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -73.19 -37.79 66.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 109.967 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.37 -29.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -54.37 -45.7 72.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.924 0.393 . . . . 0.0 110.507 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -81.71 -26.94 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 tp -55.91 -48.97 74.7 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.885 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.82 8.98 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.572 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.57 -34.54 9.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -91.03 -4.67 56.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.387 175.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 44.99 90.17 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.386 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -115.02 9.25 15.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -64.11 105.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.538 0.685 . . . . 0.0 110.384 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -138.46 150.78 67.53 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.248 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.11 -29.76 13.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.362 2.708 . . . . 0.0 113.215 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.91 -47.03 86.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.864 0.364 . . . . 0.0 110.975 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.3 mptt -65.13 -41.66 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 109.525 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 1.5 mp -66.53 -28.19 68.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.178 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -47.94 58.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 176.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.37 -33.95 73.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 85.2 mt -83.73 10.9 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -102.41 -54.1 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.402 ' HA ' ' CD2' ' A' ' 123' ' ' LEU . 41.7 mtm -63.06 -60.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.856 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.466 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -68.86 -25.4 64.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.284 -175.505 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.99 -50.92 68.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.19 89.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.427 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.7 p -70.4 -37.88 74.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.714 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.3 mtm -68.03 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -63.02 -44.74 95.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.289 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 75' ' ' SER . 37.0 mt-10 -63.49 -29.76 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.328 0.585 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.1 -44.56 65.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.001 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 177.79 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 94' ' ' THR . 1.8 tm? -55.69 -34.3 64.94 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.691 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -54.91 -38.79 68.07 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.228 0.537 . . . . 0.0 110.756 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -77.43 -40.79 42.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 55.3 mtpt -65.44 -49.07 70.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.302 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 90' ' ' LEU . 11.0 t -63.24 -30.33 71.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.417 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -82.1 -22.35 36.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 110.677 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 10.8 t -64.48 -49.6 70.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.87 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG22 ' SD ' ' A' ' 101' ' ' MET . 73.6 mt -53.41 -48.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.316 -177.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.03 88.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.8 m -71.58 -39.36 70.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.348 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.48 ' SD ' HG22 ' A' ' 97' ' ' ILE . 15.5 mtp -63.12 -46.92 85.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.979 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -56.92 -50.13 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.303 0.573 . . . . 0.0 110.027 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.2 t30 -62.57 -42.16 99.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.425 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.34 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.697 0.284 . . . . 0.0 111.727 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 4.8 t80 -65.38 -34.83 79.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.584 0.707 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 29.8 mt -63.89 -36.27 83.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.919 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -85.9 -6.24 59.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.724 -174.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 p -106.61 -52.38 2.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.017 0.437 . . . . 0.0 110.969 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.2 p -98.56 -32.21 11.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.456 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -5.67 69.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.421 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 15.7 t -117.14 157.06 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.0 127.86 71.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.971 0.415 . . . . 0.0 110.41 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -102.18 93.65 5.33 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.558 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.1 tp60 -70.95 -49.91 12.7 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.779 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 3.2 Cg_exo -41.16 -50.41 4.33 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.482 2.788 . . . . 0.0 113.4 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -68.44 -36.27 78.79 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.181 0.515 . . . . 0.0 109.991 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.8 mt -68.0 -42.24 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.1 m-20 -61.5 -33.71 74.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.09 -44.4 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.611 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -61.55 -45.76 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.9 p -59.01 -36.35 74.79 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 15.0 mm100 -59.48 -42.51 92.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.218 0.532 . . . . 0.0 110.462 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 10.4 mp -76.39 -40.1 51.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.814 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.3 t -56.76 -62.49 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.152 0.501 . . . . 0.0 110.892 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 -20.7 62.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.116 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.2 ttp -88.32 -53.31 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 22.2 m-85 -73.96 -20.64 60.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.675 -175.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.469 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . -65.5 -44.45 86.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.408 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 N--CA 1.445 -0.69 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.09 179.131 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.445 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' HG22 ' A' ' 8' ' ' THR . 30.5 Cg_endo -64.13 -20.0 66.78 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.817 2.345 . . . . 0.0 113.428 -177.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -91.63 7.24 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -70.89 -62.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.457 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.438 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.8 t30 -103.29 130.73 23.05 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 121.407 0.622 . . . . 0.0 109.88 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 13.8 Cg_endo -60.33 -31.57 92.98 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.234 2.622 . . . . 0.0 111.065 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.38 -33.28 77.04 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.727 175.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.52 -49.84 44.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.98 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -58.84 -53.17 61.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.676 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.99 -31.44 72.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.71 -52.29 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.95 -35.08 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 15.0 m-80 -63.63 -52.26 61.61 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.616 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -64.77 -33.03 75.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.009 0.433 . . . . 0.0 110.579 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.6 -48.76 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.681 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.6 mmt -76.25 -11.99 60.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.237 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 98.4 mt-30 -75.76 -31.22 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.143 0.497 . . . . 0.0 109.928 174.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.74 -39.8 5.15 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.276 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -58.61 -37.94 76.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.713 0.292 . . . . 0.0 110.931 -176.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -70.49 -11.32 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.311 . . . . 0.0 111.754 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m -100.19 -0.58 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.008 0.433 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -96.55 118.78 64.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.34 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.97 123.78 10.71 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.243 1.962 . . . . 0.0 111.606 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.78 -30.13 0.92 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -111.05 141.94 43.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.724 0.297 . . . . 0.0 110.678 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 t -89.3 164.49 14.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.48 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -65.55 -57.61 7.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.504 0.193 . . . . 0.0 110.594 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.02 -35.78 75.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.732 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 27' ' ' LEU . 11.5 tp -58.51 -49.36 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.162 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -62.51 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.6 m-20 -64.81 -43.84 91.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.518 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.0 ttm -61.37 -41.34 96.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.194 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 38.0 t -62.35 -40.67 97.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.067 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -65.44 -43.56 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.005 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.8 mm -66.46 -36.21 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.313 0.578 . . . . 0.0 110.033 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -58.55 -40.33 82.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.125 174.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.0 mm-40 -67.08 -34.11 76.94 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.006 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -61.71 -44.44 96.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.873 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.0 mmm -61.14 -47.79 84.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.7 t -57.09 -52.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.004 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.55 -33.85 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 21.2 t -67.0 -37.06 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.9 mt -77.34 -30.45 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.431 . . . . 0.0 110.438 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -85.5 -32.24 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.668 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' SER . 13.4 tp -59.42 -51.15 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.082 -177.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.96 0.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.774 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.08 -33.23 8.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -82.41 -25.72 33.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 14.65 63.54 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -84.62 81.44 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 0.0 111.574 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -132.58 156.44 46.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.983 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.507 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 t -172.95 144.11 1.17 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.68 -43.28 46.73 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.861 2.374 . . . . 0.0 112.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -74.11 -35.59 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.155 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HG2' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -74.23 -32.3 62.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.733 -177.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.6 mm? -69.65 -34.91 74.67 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.555 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.9 tt0 -65.61 -38.9 90.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.912 173.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.82 94.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.2 -32.05 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.397 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.555 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 16.3 t-20 -59.57 -57.07 14.53 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.007 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.6 mtm -64.35 -42.19 96.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.062 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -61.66 -44.05 97.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.31 -48.03 83.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.577 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.84 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.696 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 11.3 p -66.14 -35.62 80.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.888 -176.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.627 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 66.8 mtm -70.41 -34.68 72.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.25 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.7 -34.78 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.218 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 75' ' ' SER . 51.2 mt-10 -62.74 -39.95 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.443 0.64 . . . . 0.0 110.696 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.45 -40.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.531 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.17 -20.23 64.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.876 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 177.144 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.319 0.581 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.62 -29.36 24.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.741 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 t -60.8 -31.99 71.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.139 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.4 m -82.62 -27.89 31.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 0.0 111.063 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -71.92 -35.25 69.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.48 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.5 p -62.02 -48.59 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.228 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -69.46 -27.01 64.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.886 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 t -61.71 -53.63 53.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -42.48 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.4 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.56 92.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 p -69.96 -44.12 70.14 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.285 0.564 . . . . 0.0 110.29 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.71 90.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.908 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.686 ' SD ' HG12 ' A' ' 117' ' ' ILE . 20.4 ttm -63.51 -45.26 91.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 39.5 t -58.54 -39.63 80.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.037 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.8 t30 -68.14 -38.04 81.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.861 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.87 68.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.917 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 3.3 t80 -66.54 -28.74 68.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 0.0 109.484 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 102' ' ' SER . 11.5 tp -62.01 -25.49 67.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.792 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 57.8 mm-40 -94.34 -16.83 23.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 p -97.6 -34.73 10.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.7 p -121.24 -38.21 2.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.127 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.56 -11.08 39.02 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.467 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 20.1 t -121.05 158.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.36 132.32 56.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.659 0.266 . . . . 0.0 110.883 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.05 104.07 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 109.853 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.542 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.3 tp60 -67.54 -54.97 15.85 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.568 -176.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -52.92 -40.79 74.63 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.865 2.377 . . . . 0.0 114.668 -170.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.2 -37.59 72.11 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.507 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.686 HG12 ' SD ' ' A' ' 101' ' ' MET . 4.8 mt -63.9 -37.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.422 . . . . 0.0 109.92 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.587 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 5.9 m-20 -55.02 -50.07 69.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.614 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 41.8 mt-10 -68.36 -52.17 36.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.615 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.68 -48.77 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.8 p -58.7 -43.71 90.12 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.4 mm-40 -63.81 -38.36 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 110.387 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 55.1 mt -74.63 -31.68 62.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.821 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.7 t -62.52 -50.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.437 . . . . 0.0 110.005 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -63.89 -22.49 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.541 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.1 ttm -88.22 -64.74 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.607 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.67 -16.82 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.792 -170.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.09 76.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.276 0.56 . . . . 0.0 110.484 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -178.169 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.7 m . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.5 Cg_endo -56.54 -16.08 17.62 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.769 2.313 . . . . 0.0 113.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -95.39 12.79 27.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.192 -175.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -71.34 -72.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.95 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 133.4 26.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.418 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.81 -46.48 31.86 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.988 2.459 . . . . 0.0 112.47 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.89 94.71 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.15 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.56 -61.02 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.99 68.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.355 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.37 -45.5 87.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.729 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.05 -31.6 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.523 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.02 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.013 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.499 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.3 OUTLIER -59.81 -37.94 80.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.423 176.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.2 m-20 -60.04 -53.2 60.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.164 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -69.04 -26.64 65.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.211 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 64.5 t80 -59.54 -56.21 24.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.531 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 64.0 mmm -64.03 -33.16 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.863 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.1 mt-30 -58.42 -40.34 82.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.398 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.08 -32.05 13.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -64.97 -36.43 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' HD21 ' A' ' 38' ' ' LEU . 13.7 p -67.78 -11.53 58.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 0.0 111.423 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 m -97.31 -4.59 38.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.662 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.439 ' HE1' ' HB3' ' A' ' 99' ' ' SER . 53.9 mtt -94.98 129.79 34.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-O 121.074 0.464 . . . . 0.0 111.466 -174.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.96 126.2 9.19 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.644 2.229 . . . . 0.0 111.888 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.48 -57.83 0.41 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.633 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 98.7 m-85 -87.71 148.11 24.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.626 HG22 ' HG2' ' A' ' 37' ' ' GLN . 7.8 t -94.67 168.5 10.8 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.79 65.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.256 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -60.81 -41.68 96.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 34' ' ' THR . 7.0 mm100 -69.64 -34.93 74.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.407 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 28' ' ' SER . 9.8 mp -63.2 -41.28 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.5 -45.76 89.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.978 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.1 m-20 -67.16 -44.55 79.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -63.61 -41.26 98.32 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.1 t -61.08 -41.84 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 m -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.95 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.6 mm -66.22 -38.61 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.051 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.76 -38.29 75.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.421 176.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 42' ' ' SER . 28.6 mm-40 -63.42 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.443 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 t -65.68 -40.97 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.085 0.469 . . . . 0.0 109.736 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.1 mmm -59.85 -49.4 77.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.471 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.44 -47.68 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.958 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -63.8 -31.49 72.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.608 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -66.89 -46.13 75.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 109.801 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.04 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.656 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.4 mm-40 -53.88 -45.96 71.21 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 110.058 174.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -65.91 -47.74 73.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.8 mt -57.66 -38.03 74.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.4 60.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.705 0.288 . . . . 0.0 111.645 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.7 -31.85 19.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' HB2' HE21 ' A' ' 58' ' ' GLN . 18.3 mt-30 -80.26 -15.32 57.22 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.811 177.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.35 45.24 48.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.973 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -124.85 14.69 8.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.77 0.319 . . . . 0.0 111.337 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.9 121.45 22.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.008 0.433 . . . . 0.0 110.758 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.5 t -153.05 152.76 28.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.757 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' OG ' ' A' ' 62' ' ' SER . 10.6 Cg_endo -54.61 -41.6 75.96 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.701 2.268 . . . . 0.0 112.479 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -78.14 -6.02 53.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.22 0.533 . . . . 0.0 110.837 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 62' ' ' SER . 2.6 tpmt? -89.99 -49.68 6.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.301 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 62' ' ' SER . 55.6 mt -68.1 -27.63 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.75 -174.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -56.77 -33.36 66.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.889 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.49 -39.15 74.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.678 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.09 -30.78 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -56.94 -55.88 28.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.045 0.45 . . . . 0.0 110.153 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.49 -44.0 97.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.288 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.23 -46.5 88.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.101 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -57.95 -48.33 80.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.03 71.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.779 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -71.03 -27.77 63.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.1 m -68.06 -41.61 81.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 0.0 110.425 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -73.4 -26.98 61.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.104 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.442 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -60.02 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.389 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.27 -26.38 67.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.301 0.572 . . . . 0.0 110.533 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.98 -42.04 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.86 -19.98 65.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.592 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.912 174.474 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.437 ' O ' HG22 ' A' ' 94' ' ' THR . 64.4 tp -54.58 -40.7 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.532 175.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -52.53 -39.85 61.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.733 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -80.02 -38.84 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.253 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 36.9 mtmm -82.2 -39.84 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -170.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 90' ' ' LEU . 13.4 t -65.5 -32.05 73.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.966 -0.459 . . . . 0.0 111.544 -174.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 m -78.5 -27.94 46.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 110.816 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.4 t -58.89 -45.75 89.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.305 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.618 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -57.03 -46.07 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -63.5 -35.13 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.474 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.439 ' HB3' ' HE1' ' A' ' 30' ' ' MET . 32.9 t -68.47 -39.98 81.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -36.96 79.37 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.736 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.618 ' SD ' HG22 ' A' ' 97' ' ' ILE . 30.5 mtp -66.22 -47.14 74.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.512 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 t -59.41 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.144 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.629 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.1 t30 -56.8 -39.39 74.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.359 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.07 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.566 0.222 . . . . 0.0 111.081 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 26.4 m-85 -60.21 -38.34 83.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 102' ' ' SER . 60.6 mt -63.01 -28.03 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.944 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.4 mm-40 -90.81 -31.6 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.322 . . . . 0.0 111.026 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 p -89.88 -39.1 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -173.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.4 p -120.66 -37.09 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.67 -3.84 61.24 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.539 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.2 t -120.46 147.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.76 111.6 24.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 0.0 110.271 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.451 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.0 t-20 -80.87 75.46 7.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.56 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.8 tp60 -58.5 -49.18 94.91 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.865 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.1 Cg_endo -50.95 -42.89 50.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.519 2.146 . . . . 0.0 113.17 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.429 ' O ' HD13 ' A' ' 120' ' ' ILE . 66.8 m-85 -89.08 8.99 27.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.714 -177.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' ASN . 15.8 mt -103.36 -40.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 0.0 110.107 173.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 93.3 m-20 -56.51 -43.24 79.55 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.984 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 123' ' ' LEU . 31.2 mt-10 -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.35 -174.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.8 mp -61.52 -52.67 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.703 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -59.76 -43.17 94.43 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.8 mm-40 -61.6 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.513 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -75.02 -38.84 61.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.644 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 120' ' ' ILE . 72.4 t -57.24 -56.49 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.671 0.272 . . . . 0.0 110.351 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -59.71 -36.26 76.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.876 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -73.38 -53.68 10.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.421 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.34 -26.03 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.442 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . -63.57 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.24 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.199 -176.38 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.4 m . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 34.2 Cg_endo -65.73 -11.07 29.05 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.018 2.479 . . . . 0.0 113.961 -175.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -105.38 12.99 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.427 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -72.82 -46.77 51.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.005 0.431 . . . . 0.0 111.583 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -126.46 139.71 35.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.605 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.61 -41.61 67.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.975 2.45 . . . . 0.0 112.468 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.16 92.14 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.082 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 52.2 tp -62.52 -40.63 97.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.01 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.943 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 18' ' ' ASN . 1.5 pt-20 -66.34 -38.49 87.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.125 -177.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.502 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 40.2 m-80 -71.28 -32.79 69.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.737 0.303 . . . . 0.0 110.701 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.06 -50.98 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.18 -40.16 96.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.82 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -53.3 -60.68 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 176.296 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -67.03 -27.01 67.05 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.088 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.7 t80 -58.65 -48.42 81.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.118 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.494 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 0.7 OUTLIER -68.0 -37.5 81.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.902 -179.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 13.9 mm100 -56.61 -37.26 70.43 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.537 0.523 . . . . 0.0 110.987 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -31.38 12.44 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.297 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.87 -32.57 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.269 . . . . 0.0 110.738 -177.232 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -71.25 -15.53 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -92.53 -3.47 55.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.063 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -91.24 128.13 48.47 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.65 -0.95 11.0 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 122.86 2.374 . . . . 0.0 112.116 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.14 -26.2 66.94 Favored Glycine 0 C--N 1.312 -0.761 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.909 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -130.49 153.7 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 0.0 111.041 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 11.7 t -100.18 172.68 7.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.918 178.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.68 79.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 t -63.63 -35.78 81.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.607 . . . . 0.0 110.305 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 41' ' ' MET . 63.4 mt-30 -77.21 -29.25 54.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.362 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 34' ' ' THR . 82.2 mt -64.82 -42.78 94.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.197 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.8 -36.6 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.814 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -69.09 -46.06 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 26.1 mmt -50.36 -50.7 50.54 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.987 174.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.2 m -60.11 -39.07 84.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.9 m -66.75 -40.13 88.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.764 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.9 mm -65.58 -41.79 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 0.0 109.766 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -55.26 -41.32 72.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.546 176.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 42' ' ' SER . 23.5 mm-40 -62.79 -36.2 82.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -61.32 -38.89 88.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.9 mtp -75.94 -48.72 20.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 98.1 t -56.67 -47.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.526 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.45 -37.36 83.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 30.8 m -72.86 -36.83 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.997 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -69.36 -29.26 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.778 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.5 mm-40 -57.58 -45.23 85.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.271 0.558 . . . . 0.0 109.714 174.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -68.52 -38.84 81.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 51' ' ' SER . 87.1 mt -61.37 -35.62 77.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.688 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.96 -18.02 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.87 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.61 -39.62 8.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.214 0.53 . . . . 0.0 109.648 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.29 -29.01 61.45 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.93 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.21 40.21 34.73 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.302 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -124.55 21.45 8.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.731 -0.234 . . . . 0.0 111.123 -175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 1.2 m -53.18 -57.3 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.571 0.544 . . . . 0.0 110.5 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.547 ' O ' HD22 ' A' ' 66' ' ' LEU . 96.9 p 50.4 165.28 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 124.454 1.101 . . . . 0.0 113.253 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.43 -11.9 22.69 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.679 1.586 . . . . 0.0 110.677 170.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -70.78 -51.33 27.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 61' ' ' THR . 14.1 mptt -61.86 -44.16 97.38 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 109.855 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -61.57 -30.01 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.047 -178.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.11 -48.88 49.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.212 173.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.0 79.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.161 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.5 mt -76.38 -2.94 34.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.65 -44.24 13.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mtm -79.85 -55.2 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.576 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.21 -34.97 75.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.871 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -58.87 -53.21 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.958 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.97 82.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.694 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 p -69.28 -26.12 64.59 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -65.06 -45.47 85.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.575 0.226 . . . . 0.0 110.827 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.405 ' HE2' ' HB2' ' A' ' 77' ' ' MET . 3.8 mpp? -70.74 -31.03 67.72 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.231 175.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.69 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.88 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.03 -50.05 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.05 -46.09 94.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.82 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 93' ' ' LYS . . . -67.98 -37.34 81.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.396 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.01 -174.272 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.897 0.379 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.41 -30.5 71.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.353 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -62.52 -30.95 71.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.77 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -82.68 -44.63 15.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.249 0.547 . . . . 0.0 110.257 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.481 ' HD3' ' HB1' ' A' ' 81' ' ' ALA . 44.5 mttp -64.06 -41.21 97.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.552 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 p -59.83 -50.97 71.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.641 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -63.72 -33.91 76.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.0 m -59.44 -47.13 86.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.591 HG22 ' SD ' ' A' ' 101' ' ' MET . 56.6 mt -63.63 -51.64 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -61.41 -36.31 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.948 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 t -66.12 -40.84 91.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.61 -35.75 73.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.602 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.591 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.1 mtp -65.25 -46.88 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.199 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 36.4 t -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.986 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.638 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 20.0 t30 -62.31 -40.23 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.4 77.11 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 2.5 t80 -66.3 -30.33 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.613 0.72 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 102' ' ' SER . 10.1 tp -63.78 -29.38 70.59 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.201 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 59.5 mm-40 -91.59 -17.97 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 15' ' ' LEU . 4.2 p -94.13 -61.54 1.51 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.937 -173.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 t -108.56 -4.69 16.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.964 0.412 . . . . 0.0 110.912 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.06 2.97 90.71 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.381 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.69 153.7 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.7 t -101.29 110.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.489 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.499 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.3 t-20 -85.19 80.88 9.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.43 0.634 . . . . 0.0 109.476 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.61 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -65.82 -44.53 63.25 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.783 -177.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -47.34 -49.56 12.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.724 2.283 . . . . 0.0 113.224 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.77 -32.18 71.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 113' ' ' ASN . 33.1 mt -64.53 -36.89 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -67.89 -29.45 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.457 ' O ' HD13 ' A' ' 123' ' ' LEU . 38.5 mt-10 -70.27 -53.2 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.264 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -58.39 -50.39 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.523 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 7.5 p -55.91 -47.39 77.56 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -64.67 -41.02 96.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -68.6 -38.06 80.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.274 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 120' ' ' ILE . 76.6 t -55.45 -53.46 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.029 0.443 . . . . 0.0 110.02 176.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 t -62.98 -48.28 79.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.818 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.544 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -72.21 -26.53 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.33 -53.49 23.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.282 -178.572 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.685 -0.166 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -147.26 -177.08 5.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.454 -0.439 . . . . 0.0 109.849 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.81 142.68 16.71 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.426 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.26 -50.8 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t 65.46 6.7 3.87 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.952 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -87.44 84.3 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.123 0.487 . . . . 0.0 110.164 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -170.58 -178.55 2.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.394 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 p -73.45 140.35 79.01 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.831 0.348 . . . . 0.0 110.977 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.09 -8.97 24.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.318 2.012 . . . . 0.0 111.847 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.533 ' HB2' HD22 ' A' ' 66' ' ' LEU . 5.4 m95 -94.48 3.11 55.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.637 -176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 t -70.9 -26.07 63.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.908 0.385 . . . . 0.0 111.014 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.509 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 14.4 t30 -130.95 130.32 22.79 Favored Pre-proline 0 CA--C 1.512 -0.482 0 CA-C-O 121.261 0.553 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 18.5 Cg_endo -61.7 -37.04 71.38 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 123.389 2.726 . . . . 0.0 111.042 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.78 -38.4 95.88 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.579 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 37.4 tp -73.19 -45.91 53.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.447 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.76 89.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.703 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.74 -44.93 96.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' HB3' HG22 ' A' ' 108' ' ' THR . 35.8 m-80 -69.69 -32.1 70.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.13 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.85 -52.16 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.472 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.8 OUTLIER -62.17 -35.52 79.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.215 177.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 4.8 m-80 -60.49 -52.45 65.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.798 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 t -69.92 -32.55 70.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.388 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.7 t80 -55.76 -55.43 32.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.208 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.565 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 48.0 mmm -65.19 -32.88 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.781 0.324 . . . . 0.0 110.631 -175.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.2 mt-30 -61.91 -37.05 83.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.89 -36.19 9.37 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.09 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 23' ' ' PHE . 11.5 tp -67.64 -31.19 71.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.1 p -61.44 -25.88 67.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 111.248 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -101.13 6.69 43.31 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.016 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.563 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 20.8 mmt -83.79 138.27 40.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.66 149.25 33.83 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.787 2.324 . . . . 0.0 111.849 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.09 -32.26 5.87 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.718 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -105.85 -169.47 1.59 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.786 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.4 t -152.23 171.75 17.47 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.43 71.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 111.176 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -61.5 -46.26 90.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.16 -46.45 87.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 110.043 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.3 mt -61.31 -42.09 98.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.218 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.52 -47.28 86.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.96 -39.51 89.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.2 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.164 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.1 m -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.912 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.4 mm -66.25 -36.26 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.191 0.52 . . . . 0.0 110.112 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.76 -34.47 69.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.597 175.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.09 -39.36 89.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.104 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -65.0 -35.27 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 109.747 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.8 mmm -59.86 -48.8 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.287 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.5 t -62.86 -46.57 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.008 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.35 -37.17 64.61 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -65.64 -42.1 91.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.029 0.442 . . . . 0.0 109.993 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.63 -40.0 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.769 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 13.1 mm100 -56.7 -36.55 69.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.118 0.485 . . . . 0.0 109.962 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -75.07 -44.73 45.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.871 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.68 -43.85 85.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.737 0.303 . . . . 0.0 111.185 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.08 -20.15 59.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.821 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.95 -29.93 15.01 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.64 -177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -89.32 -7.46 55.28 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.621 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.14 43.81 88.88 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.263 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -128.45 22.76 5.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.647 0.26 . . . . 0.0 111.444 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 m -77.75 68.78 3.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.349 0.595 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -90.92 155.55 45.03 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.944 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -52.45 -40.53 71.34 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.863 2.375 . . . . 0.0 113.007 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -67.74 -24.56 65.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' O ' HD23 ' A' ' 69' ' ' LEU . 12.4 mptt -71.23 -50.69 30.29 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 10' ' ' TRP . 59.9 mt -61.31 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.379 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -57.96 -39.01 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.524 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.51 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 65' ' ' LYS . 4.1 mm? -56.05 -35.68 67.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.904 177.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.97 -52.18 61.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 0.0 110.939 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -71.63 -47.25 55.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.779 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -65.68 -39.83 91.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.202 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -58.03 -47.7 82.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.991 0.425 . . . . 0.0 110.705 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.4 87.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.547 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 12.0 p -70.77 -33.55 70.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -175.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.9 m -58.79 -42.11 88.26 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.125 0.488 . . . . 0.0 110.734 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.6 mtm -73.56 -31.88 63.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.223 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.51 89.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.561 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' SER . 46.9 mt-10 -55.46 -40.37 71.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.372 0.606 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 92.4 mt -71.99 -51.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.127 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.04 -32.29 69.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.321 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.4 t -76.93 -9.89 58.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 57.35 74.24 0.43 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.216 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -120.86 157.7 29.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.811 172.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.83 -106.34 1.85 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.268 -0.491 . . . . 0.0 113.151 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.7 -5.69 86.3 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.401 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.25 -75.81 0.95 Allowed Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.296 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -46.82 123.64 5.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.52 -29.65 69.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.059 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -56.93 -46.9 81.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.117 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.7 m -70.16 -37.89 75.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.574 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.46 -54.13 49.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.354 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.1 p -62.75 -38.75 91.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.9 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -66.24 -32.49 73.94 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 58.8 m -70.35 -41.73 72.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.612 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.579 HG22 ' SD ' ' A' ' 101' ' ' MET . 67.7 mt -57.7 -49.37 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.974 0.416 . . . . 0.0 110.636 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.41 73.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.074 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -69.5 -40.53 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.86 -37.41 73.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.579 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.9 mtp -62.25 -49.05 77.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.819 0.342 . . . . 0.0 111.344 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 p -67.55 -38.32 83.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.565 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.6 t30 -68.89 -40.77 79.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.064 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.42 93.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.865 0.364 . . . . 0.0 111.295 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.445 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 3.3 t80 -66.87 -32.96 74.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.538 0.685 . . . . 0.0 109.245 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 106' ' ' LEU . 10.5 tp -60.9 -30.03 69.93 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.791 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.6 mm-40 -92.75 -27.92 16.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 111.124 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.2 p -81.11 -46.12 15.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -120.89 -23.32 5.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.154 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 103.5 -10.74 53.84 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.6 -0.81 . . . . 0.0 113.337 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.05 155.85 22.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.14 125.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.645 0.26 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -86.15 113.72 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.6 tp60 -82.32 -56.59 0.52 Allowed Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.1 Cg_endo -53.98 -42.67 64.83 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.68 2.253 . . . . 0.0 113.468 -175.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.43 -32.47 72.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.13 0.49 . . . . 0.0 110.165 -172.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.38 -37.41 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 90.8 m-20 -62.61 -40.3 96.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 47.4 mt-10 -66.83 -57.61 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.678 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -51.65 -49.97 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 24.9 p -57.46 -40.47 78.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -73.03 -36.56 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.617 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.01 -42.25 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.947 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.0 t -53.01 -58.23 3.22 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.808 0.813 . . . . 0.0 109.621 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.6 m -59.85 -31.62 69.92 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.8 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.4 ttp -78.17 -51.91 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -68.1 -27.42 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.68 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.23 96.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 111.411 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.55 -35.7 78.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -82.89 0.33 44.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.226 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -108.42 -11.59 23.23 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.8 mtt -77.84 -33.49 52.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.05 0.452 . . . . 0.0 110.177 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -114.75 149.32 37.07 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -77.24 71.35 3.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.181 0.515 . . . . 0.0 111.763 -174.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -118.41 5.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 122.176 0.989 . . . . 0.0 109.117 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 p -108.22 24.96 12.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.749 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.697 -179.725 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.516 ' HA3' ' OD1' ' A' ' 4' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.901 -0.48 . . . . 0.0 111.901 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -94.02 -25.24 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.998 0.428 . . . . 0.0 110.727 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.23 74.04 0.18 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 4.0 m-20 -76.92 -65.35 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.928 -0.136 . . . . 0.0 110.885 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m 60.12 91.16 0.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.671 0.607 . . . . 0.0 111.61 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -67.76 141.14 56.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -52.98 110.89 0.58 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.68 -177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.6 m -114.13 142.12 27.45 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.676 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 74.5 Cg_endo -77.75 -9.75 17.02 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.405 2.07 . . . . 0.0 112.608 178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 -5.28 25.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.59 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.73 -9.38 58.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -138.26 135.32 18.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.168 0.509 . . . . 0.0 109.936 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -64.65 -38.67 30.65 Favored 'Trans proline' 0 C--N 1.327 -0.58 0 C-N-CA 123.018 2.479 . . . . 0.0 111.503 -176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.78 -35.01 89.06 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.933 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 tp -70.18 -40.43 74.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.79 75.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.663 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.79 -34.68 75.95 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.291 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -72.87 -36.06 67.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.99 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.77 -48.45 80.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.114 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.5 mmt -64.11 -36.19 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -61.97 -53.2 59.0 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 110.579 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 t -66.69 -34.16 77.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.154 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -57.91 -49.87 75.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.749 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.0 mmt -64.19 -37.99 89.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.784 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -64.61 -36.76 85.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 111.298 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.56 -36.39 33.79 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.871 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -71.5 -29.49 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 111.434 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.3 p -70.43 -12.3 61.49 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.013 0.435 . . . . 0.0 110.646 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -93.47 1.74 56.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.149 0.499 . . . . 0.0 109.855 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.5 mmt -102.1 114.9 65.32 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.319 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.83 -1.96 8.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.096 2.531 . . . . 0.0 112.768 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.44 -27.95 73.5 Favored Glycine 0 C--N 1.313 -0.713 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.896 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -118.32 164.2 15.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 110.919 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.506 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -113.3 169.98 8.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.165 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.852 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 m -65.41 -43.04 91.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.16 -35.07 79.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.07 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.5 mt -64.14 -45.29 89.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.511 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.25 -47.39 84.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.8 m-20 -66.1 -39.32 89.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.647 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 ttm -65.17 -40.21 94.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 33.0 t -61.53 -37.09 82.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.2 m -67.45 -41.37 84.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.797 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 40' ' ' ASP . 42.9 mm -66.62 -37.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 0.0 109.83 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.67 176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 42' ' ' SER . 31.1 mm-40 -63.92 -44.06 94.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.388 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -59.41 -34.37 72.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.6 tpp -69.33 -58.56 3.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.33 176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.3 t -58.52 -47.31 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.04 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.82 -33.5 75.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 111.488 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 m -72.94 -39.73 65.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.03 -35.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.809 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.8 mm-40 -53.11 -39.78 63.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.851 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -85.33 -41.78 15.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.979 0.419 . . . . 0.0 110.765 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.5 tp -60.71 -45.49 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.78 -20.47 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.36 -34.01 13.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.993 0.425 . . . . 0.0 110.094 -176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -84.25 0.33 49.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.217 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.91 34.96 78.16 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.819 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.71 6.51 21.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.988 0.423 . . . . 0.0 110.644 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 t -80.97 141.6 34.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.217 0.532 . . . . 0.0 110.796 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' HD22 ' A' ' 66' ' ' LEU . 32.2 m -156.84 154.06 25.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.21 -35.39 33.89 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.367 2.711 . . . . 0.0 113.476 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.439 HD22 ' C ' ' A' ' 64' ' ' ASN . 0.2 OUTLIER -64.16 -38.65 91.83 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.358 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -45.71 79.71 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 62' ' ' SER . 0.4 OUTLIER -66.11 -32.23 73.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.664 -178.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.138 0.494 . . . . 0.0 110.458 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.02 72.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.61 -34.1 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.72 -47.33 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.743 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -71.27 -47.6 55.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.094 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.78 -40.0 86.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.4 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -55.92 -47.65 77.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.646 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.47 71.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.636 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 54.1 p -65.22 -38.24 89.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.698 -175.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.4 ' HB3' HG21 ' A' ' 44' ' ' ILE . 37.7 m -65.58 -38.2 88.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.745 0.307 . . . . 0.0 111.273 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.87 -35.54 74.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 109.933 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.54 -42.6 96.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.976 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 75' ' ' SER . 44.7 mt-10 -56.54 -45.92 80.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.7 -49.27 81.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.873 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.78 -30.6 68.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.899 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.83 -9.16 32.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.117 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 t -82.07 71.93 9.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.249 -172.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 48.45 78.52 0.08 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.79 0.805 . . . . 0.0 110.809 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.41 131.62 44.36 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.842 -168.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.1 57.73 3.6 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.08 -69.37 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.23 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.76 31.02 1.27 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.312 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.8 t 177.47 118.28 0.03 OUTLIER 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.722 0.409 . . . . 0.0 110.245 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 tt -91.66 -27.35 18.16 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 t -64.46 -35.72 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.467 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.7 m -67.47 -28.88 68.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 0.0 110.373 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -66.32 -49.33 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.654 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -59.02 -41.86 88.76 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.8 m -65.46 -40.57 93.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.926 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.2 m -62.12 -48.81 78.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.526 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -50.53 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.788 0.328 . . . . 0.0 110.552 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.3 97.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.527 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.3 m -68.72 -34.29 75.38 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 120.962 0.41 . . . . 0.0 110.653 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.59 -43.53 55.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.107 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.4 ' HE3' HG12 ' A' ' 117' ' ' ILE . 38.4 mtm -64.89 -42.24 94.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.615 -178.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.4 p -63.6 -41.9 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.193 0.521 . . . . 0.0 110.282 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 12.4 t30 -65.78 -40.92 92.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.872 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.03 90.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HD1' ' O ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -58.16 -42.09 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.737 0.78 . . . . 0.0 109.224 174.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 106' ' ' LEU . 7.2 tp -59.53 -33.59 71.58 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.512 -1.222 . . . . 0.0 112.147 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 55.6 mm-40 -87.26 -32.83 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 111.23 -176.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.3 p -77.27 -61.03 2.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 111.592 -174.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -104.61 -16.81 14.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.745 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.16 -16.14 61.65 Favored Glycine 0 N--CA 1.455 -0.094 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.321 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.43 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 17.4 t -119.79 154.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 p -117.79 129.7 73.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.405 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 51.8 t-20 -92.72 96.85 10.42 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -68.39 -48.95 33.78 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.262 -177.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.7 Cg_exo -52.24 -36.07 66.05 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.167 1.911 . . . . 0.0 113.039 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.405 ' HB2' ' CG ' ' A' ' 113' ' ' ASN . 3.8 t80 -67.0 -39.19 87.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 109.295 -177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.4 HG12 ' HE3' ' A' ' 101' ' ' MET . 65.1 mt -69.69 -37.76 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.151 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 8.5 m-20 -57.09 -33.98 67.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.243 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.7 mt-10 -73.53 -43.96 58.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -62.98 -48.33 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.4 p -55.68 -47.19 77.19 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 8.0 mm100 -65.48 -37.37 86.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.586 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.1 mp -72.87 -35.9 67.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -57.41 -53.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.035 0.445 . . . . 0.0 109.863 175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.1 t -58.3 -47.61 83.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.13 -48.36 73.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.831 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -76.77 -22.42 53.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.953 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.34 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.443 0.64 . . . . 0.0 110.1 177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -64.43 -20.07 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.478 ' HA ' HG11 ' A' ' 135' ' ' VAL . . . -89.7 6.18 42.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.85 13.97 12.87 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.159 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.7 mtt -107.8 -74.32 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -174.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -162.76 131.12 3.93 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.6 t70 62.13 40.65 11.65 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.692 0.758 . . . . 0.0 112.312 167.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' A' ' 130' ' ' ALA . 9.9 p -102.82 4.35 10.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 121.703 0.763 . . . . 0.0 110.606 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.6 m -98.67 26.72 5.37 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.529 -172.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.511 -0.756 . . . . 0.0 110.425 178.273 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -81.6 114.07 20.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.784 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.97 76.9 1.65 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.37 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -61.9 -81.84 0.02 OUTLIER 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.977 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -88.23 87.4 7.3 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.734 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.21 59.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.683 0.754 . . . . 0.0 110.873 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 t -138.08 124.49 20.65 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.578 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.3 m -125.46 138.94 32.76 Favored Pre-proline 0 C--N 1.314 -0.949 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 8' ' ' THR . 34.6 Cg_endo -66.54 -12.67 36.73 Favored 'Trans proline' 0 N--CA 1.466 -0.089 0 C-N-CA 122.199 1.933 . . . . 0.0 111.764 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.2 5.38 44.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.519 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -75.27 -24.53 57.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.238 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -139.33 132.49 15.61 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.52 -32.87 88.39 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 C-N-CA 123.495 2.796 . . . . 0.0 111.933 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.42 -32.46 62.25 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.589 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.75 -57.65 5.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.25 65.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.76 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.38 -47.92 80.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.011 0.434 . . . . 0.0 110.402 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -73.95 -28.5 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.8 -56.58 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.834 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -34.73 74.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.308 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.3 m-80 -57.94 -59.54 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.344 176.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.0 m -62.65 -36.35 82.56 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.82 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 81.3 t80 -56.73 -54.38 46.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.093 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 1.7 mmt -65.28 -35.67 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.305 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.5 mm-40 -58.44 -50.8 72.42 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.735 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -71.13 -37.93 63.64 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.187 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -58.6 -41.15 85.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.404 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -66.77 -17.94 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -96.76 2.12 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.023 0.44 . . . . 0.0 110.487 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 26.3 mmt -91.67 122.37 65.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.955 -177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.57 109.93 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.574 2.183 . . . . 0.0 111.911 176.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.64 -38.77 0.58 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.252 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 53.5 m-85 -88.19 -178.6 5.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.218 0.533 . . . . 0.0 110.991 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 t -138.38 164.63 28.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.255 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.72 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.397 0.436 . . . . 0.0 111.671 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -59.93 -43.27 95.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.44 -30.6 64.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.094 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 27' ' ' LEU . 96.9 mt -68.78 -40.42 79.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -51.01 71.6 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.304 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . 39.8 m-20 -64.27 -45.99 85.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.8 ttm -58.1 -42.2 85.15 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.173 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 26.0 t -62.16 -46.49 88.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.419 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 m -63.65 -41.14 98.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.22 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -66.6 -40.3 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.123 0.487 . . . . 0.0 110.266 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.16 -36.67 73.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.534 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.3 mm-40 -63.95 -34.95 79.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.703 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -59.93 -39.72 86.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 0.0 110.124 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.8 ttm -69.12 -47.57 64.77 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 94.5 t -56.65 -45.12 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.482 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -61.0 -37.29 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 58.5 m -69.14 -38.25 78.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.46 -37.55 79.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.76 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.1 mm-40 -55.55 -48.17 75.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 0.0 110.054 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.3 m -64.01 -42.56 97.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.977 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 82.3 mt -61.45 -46.23 90.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.287 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.59 -3.38 50.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.07 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 -41.92 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.102 0.477 . . . . 0.0 109.99 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.96 -27.63 26.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.699 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.54 43.31 6.96 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.104 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -105.5 9.19 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 55' ' ' LEU . 1.2 m -82.54 84.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 112.18 -172.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -89.42 158.98 45.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 169.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.8 -24.98 40.7 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.67 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.0 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.045 176.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 27.0 mmmt -61.42 -49.76 75.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.004 0.431 . . . . 0.0 110.246 -177.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD22 ' H ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -70.03 -33.44 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.631 -174.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.08 -42.49 94.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.234 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.35 66.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.3 mt -62.01 -31.97 72.4 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.602 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -53.61 -56.26 18.75 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.529 0.518 . . . . 0.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.19 -45.17 93.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.372 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -65.19 -42.16 93.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.506 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -61.5 -46.21 90.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.81 -44.46 96.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 -32.96 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.1 p -67.21 -41.42 85.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.77 -29.99 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.048 175.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.361 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -36.24 82.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 110.348 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.72 -47.82 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.464 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.51 -20.07 63.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.15 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -25.02 66.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.053 0.454 . . . . 0.0 110.48 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -80.01 83.73 5.86 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.734 0.778 . . . . 0.0 110.02 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -79.16 -5.03 53.23 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.527 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.88 113.64 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.53 -18.09 11.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.704 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.82 -119.59 1.17 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.365 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.2 173.92 15.22 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.09 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.6 m -64.98 177.1 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.456 0.646 . . . . 0.0 112.153 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.5 -41.41 88.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.756 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -55.46 -35.3 65.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.148 0.499 . . . . 0.0 111.849 -176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.9 m -73.48 -31.42 63.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.383 0.611 . . . . 0.0 110.734 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.5 mtmm -87.68 -37.24 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.302 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 p -54.92 -46.16 74.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.968 171.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -60.99 -37.45 82.53 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.2 m -62.47 -44.88 95.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.326 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.49 -52.6 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.044 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.97 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.947 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.1 m -64.88 -36.39 84.2 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 120.792 0.33 . . . . 0.0 110.971 -177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.72 -34.7 34.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.5 ttp -70.28 -44.1 69.1 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.057 -175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.409 ' O ' HD13 ' A' ' 106' ' ' LEU . 32.2 m -62.07 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.455 0.645 . . . . 0.0 110.133 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.9 t30 -64.93 -33.27 75.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.56 81.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -36.56 83.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.504 0.669 . . . . 0.0 109.87 174.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 102' ' ' SER . 8.5 mp -66.47 -34.41 77.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.767 176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.0 mm-40 -73.26 -30.55 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.8 p -92.27 -59.76 2.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -171.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -119.88 -9.8 9.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.957 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.86 1.39 88.93 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.856 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.17 145.71 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.67 124.8 70.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.128 0.489 . . . . 0.0 111.354 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -81.23 91.08 6.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.563 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.452 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.4 tp60 -64.45 -47.62 76.78 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.767 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.4 Cg_exo -47.51 -45.25 23.58 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.519 2.146 . . . . 0.0 113.3 177.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.27 -37.85 71.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.237 0.542 . . . . 0.0 110.022 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.3 mt -68.51 -31.64 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.441 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.3 m-20 -61.95 -39.49 92.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.313 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' HD13 ' A' ' 123' ' ' LEU . 41.9 mt-10 -64.73 -51.35 62.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.68 -54.93 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 178.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -56.98 -42.99 81.22 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -171.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 76.5 mm-40 -69.58 -38.77 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 0.0 110.454 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.5 mp -69.76 -38.02 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.044 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.8 t -53.42 -58.17 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 121.532 0.682 . . . . 0.0 109.501 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.9 m -54.79 -46.56 74.48 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.773 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.4 ttp -66.37 -44.79 82.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.44 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -77.91 -25.96 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.845 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.44 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.223 0.535 . . . . 0.0 110.834 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -65.91 -23.94 66.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.554 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -85.65 -4.22 59.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.97 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.36 -18.97 24.63 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.4 mtt -86.34 -48.67 8.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.496 0.665 . . . . 0.0 109.875 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.01 145.03 27.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.201 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.15 70.25 3.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.433 0.635 . . . . 0.0 111.362 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p -112.66 9.41 8.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 122.472 1.129 . . . . 0.0 109.015 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.9 p -88.23 80.17 7.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.146 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.536 -177.158 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -128.28 173.26 10.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.615 0.245 . . . . 0.0 110.815 -176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.15 41.3 0.77 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.737 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.02 -21.27 63.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m -84.96 6.1 26.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.922 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -101.25 41.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 m -74.6 90.6 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.367 0.603 . . . . 0.0 111.232 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m -148.65 138.32 12.62 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.01 -21.0 72.93 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.892 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -100.26 12.11 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.278 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 t -62.07 -42.97 99.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -126.97 140.94 39.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.4 -40.46 57.61 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.086 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.72 -31.97 77.12 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.153 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.79 -58.99 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.23 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.632 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.81 -50.28 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.736 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.79 -31.37 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.867 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.11 -50.7 72.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.014 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.51 -35.85 82.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.723 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 7.2 m-80 -59.4 -56.88 16.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.492 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -65.15 -30.82 71.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.36 -52.55 65.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.123 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.793 -179.464 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 35.1 mm-40 -56.13 -42.73 77.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.37 -36.48 26.8 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.349 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 9.2 tp -68.26 -29.34 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.6 0.238 . . . . 0.0 111.595 -175.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.1 p -74.38 2.09 10.18 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.01 0.433 . . . . 0.0 111.315 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 m -115.59 3.03 13.91 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.199 172.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.52 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.5 mmt -92.83 138.07 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -175.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.62 160.5 22.04 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.805 2.337 . . . . 0.0 111.672 173.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 106.14 -12.74 44.67 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.542 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.55 -168.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.928 0.394 . . . . 0.0 110.543 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 9.8 t -153.49 171.94 17.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.632 0.582 . . . . 0.0 111.967 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -68.7 -46.22 69.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.753 0.311 . . . . 0.0 110.268 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.93 -33.86 76.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.157 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 34' ' ' THR . 98.0 mt -71.73 -43.91 65.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.67 -44.86 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.307 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.3 m-20 -61.94 -45.14 94.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.1 ttm -63.86 -35.99 82.44 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 43.6 t -58.94 -47.04 86.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.121 177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.7 m -65.24 -38.36 90.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 40' ' ' ASP . 41.1 mm -67.98 -39.54 81.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 109.925 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -60.17 -36.21 77.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.355 176.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -67.09 -32.43 73.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 m -68.27 -34.36 76.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.08 0.467 . . . . 0.0 110.009 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.8 mmm -63.17 -47.81 81.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.811 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.64 -51.23 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.94 -36.93 70.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.756 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t -68.28 -44.24 75.97 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -68.69 -37.28 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.8 mm-40 -57.88 -34.47 69.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.198 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -81.32 -44.58 17.44 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.04 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 51' ' ' SER . 79.9 mt -58.41 -39.86 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.459 -178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -12.93 60.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.566 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.36 -28.97 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.307 0.575 . . . . 0.0 110.042 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.29 -7.5 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.69 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 39.06 84.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.943 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -123.35 25.81 8.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.625 0.25 . . . . 0.0 111.447 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.56 63.27 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.862 0.839 . . . . 0.0 110.86 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 m -79.68 139.95 54.81 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.344 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -57.03 -25.4 63.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.59 2.194 . . . . 0.0 112.83 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -69.31 -26.81 64.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.266 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.3 mttm -73.0 -49.51 28.47 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.497 0.665 . . . . 0.0 109.243 174.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.9 -39.91 87.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.289 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.8 tm0? -67.09 -43.0 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 -32.23 71.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.04 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.0 mt -59.32 -34.71 72.66 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 7.2 t30 -52.91 -48.46 67.22 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.191 0.52 . . . . 0.0 111.248 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.6 mtm -71.6 -44.92 63.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.448 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -68.02 -37.19 81.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.016 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.91 -46.15 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.27 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.828 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.8 p -72.87 -34.26 66.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 p -65.46 -40.01 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.195 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.5 mtm -69.48 -32.66 71.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.084 174.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.67 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.138 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.0 mt-10 -57.79 -45.03 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.321 0.581 . . . . 0.0 110.405 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 93.7 mt -67.58 -48.72 75.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.919 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.02 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.6 t -84.8 47.46 1.39 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.678 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.553 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 9.6 pt-20 -80.65 48.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.047 -175.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.69 -18.19 62.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.08 5.79 84.51 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.97 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.45 174.41 35.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.002 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 93' ' ' LYS . . . 76.0 100.38 0.13 Allowed Glycine 0 C--O 1.221 -0.657 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.138 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.1 m -58.23 154.9 12.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.483 0.659 . . . . 0.0 112.767 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 125' ' ' SER . 51.0 tp -55.01 -25.9 33.33 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.076 -178.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -54.38 -39.86 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.883 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 m -77.56 -39.28 46.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.794 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.553 ' NZ ' ' HB3' ' A' ' 84' ' ' GLU . 62.1 mttp -56.43 -49.63 74.01 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.617 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -60.03 -35.47 75.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.517 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.0 m -73.29 -42.2 62.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.698 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.52 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.8 m -61.56 -48.13 82.38 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.868 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.572 HG22 ' SD ' ' A' ' 101' ' ' MET . 65.6 mt -59.53 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.633 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.02 -32.36 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.631 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -71.37 -40.26 70.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.292 0.568 . . . . 0.0 109.77 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.75 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.769 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 97' ' ' ILE . 17.6 mtp -67.72 -47.11 70.29 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.769 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -63.5 -43.56 96.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.164 0.506 . . . . 0.0 110.168 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 t30 -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.01 177.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.72 -42.06 86.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.924 0.393 . . . . 0.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.73 -31.66 70.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.439 0.638 . . . . 0.0 109.393 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.05 -28.36 69.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.715 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -88.27 -28.42 21.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.827 0.346 . . . . 0.0 111.401 -176.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -88.71 -36.61 16.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.371 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.2 p -117.33 -36.49 3.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.82 -3.6 57.41 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.56 158.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.28 124.1 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.758 0.314 . . . . 0.0 110.577 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -84.17 120.2 25.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.208 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.542 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.9 tp60 -86.23 -53.75 0.42 Allowed Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.6 Cg_endo -52.28 -48.64 20.75 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 122.891 2.394 . . . . 0.0 114.526 -170.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -71.32 -34.34 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.867 0.365 . . . . 0.0 110.465 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.5 mt -66.93 -31.82 55.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.555 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.94 -31.89 73.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.405 ' O ' HD13 ' A' ' 123' ' ' LEU . 34.0 mt-10 -86.44 -51.3 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.425 -174.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -52.96 -49.2 49.97 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 122.991 0.182 . . . . 0.0 111.251 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.7 p -54.95 -53.02 60.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -64.87 -40.14 94.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -69.55 -40.09 77.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.578 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 120' ' ' ILE . 77.7 t -56.89 -52.85 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.065 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.491 ' HA ' HD21 ' A' ' 90' ' ' LEU . 7.4 t -61.95 -46.42 89.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 58.6 ttp -61.65 -54.45 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.606 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 36.1 m-85 -66.94 -30.54 70.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.548 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.01 -54.31 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -65.34 -33.49 76.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.34 60.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 111.202 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.63 -24.79 17.1 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 175.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.1 mtt -76.91 -54.85 6.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.698 -0.751 . . . . 0.0 109.824 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -137.78 148.91 45.95 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.684 -173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 86.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.537 0.684 . . . . 0.0 110.228 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.54 0.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.931 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -107.31 95.81 5.97 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.244 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.657 175.399 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -76.93 94.35 3.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.791 0.329 . . . . 0.0 110.176 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.9 159.01 11.42 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.792 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -66.36 -44.29 83.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -88.13 118.5 27.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.066 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -52.8 106.43 0.16 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.447 0.641 . . . . 0.0 112.004 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.2 m -79.33 90.43 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.39 0.614 . . . . 0.0 110.62 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.522 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.2 m -127.42 139.9 36.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.158 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 8' ' ' THR . 56.2 Cg_endo -70.86 -13.07 31.66 Favored 'Trans proline' 0 CA--C 1.525 0.059 0 C-N-CA 122.46 2.107 . . . . 0.0 112.748 -177.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.459 ' HB2' HD22 ' A' ' 66' ' ' LEU . 10.0 m95 -103.99 15.69 27.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.404 -174.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.448 HG23 ' HB ' ' A' ' 8' ' ' THR . 24.1 p -71.4 -39.01 71.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 111.457 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -132.02 148.75 71.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.631 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.69 -40.17 38.78 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.765 2.31 . . . . 0.0 112.063 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.62 -34.49 87.7 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.992 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -60.12 4.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.27 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.964 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.32 -55.56 33.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.981 0.42 . . . . 0.0 110.384 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -66.18 -33.68 76.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.155 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.46 -51.87 67.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.521 ' O ' ' HG2' ' A' ' 24' ' ' MET . 24.0 mmt -65.7 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -62.95 -51.6 66.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.949 0.404 . . . . 0.0 110.463 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -65.59 -31.26 72.2 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.797 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.496 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 77.4 t80 -57.66 -52.3 65.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.22 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 20' ' ' MET . 61.6 mmm -65.6 -36.14 82.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.1 -39.03 80.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -83.96 -40.12 8.94 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.096 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -60.98 -36.94 80.77 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.628 0.371 . . . . 0.0 110.913 -176.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -66.78 -21.25 66.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.885 0.374 . . . . 0.0 111.529 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -99.82 10.22 41.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.612 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 25.9 mmt -96.31 116.71 66.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.35 110.97 2.98 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.06 1.84 . . . . 0.0 111.109 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.07 -31.97 0.88 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.906 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -102.04 -171.98 2.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.797 0.332 . . . . 0.0 110.295 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -150.66 175.15 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.48 75.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.411 0.445 . . . . 0.0 111.69 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 m -66.23 -44.02 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.655 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.09 -43.01 99.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' A' ' 27' ' ' LEU . 1.9 mp -57.89 -38.78 76.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.569 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.44 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.46 -46.73 69.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.758 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.594 ' SD ' HG21 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -46.57 -53.04 12.21 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 173.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 22.3 t -61.92 -37.18 83.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.084 0.469 . . . . 0.0 110.552 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.9 m -70.47 -44.01 68.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.162 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.452 HG13 HD11 ' A' ' 80' ' ' ILE . 47.1 mm -68.6 -37.08 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.208 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.48 -35.46 63.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.517 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.9 mm-40 -63.42 -41.14 98.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.884 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.9 m -60.84 -38.06 84.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.642 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.7 tpp -67.69 -49.74 61.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.469 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.7 t -59.89 -46.58 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.196 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.12 -28.58 70.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -73.82 -44.86 54.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.188 0.518 . . . . 0.0 110.242 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.01 -34.71 72.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.678 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.6 mm-40 -53.93 -45.16 71.13 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.024 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -72.42 -40.05 67.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.08 -36.48 83.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.564 0.221 . . . . 0.0 111.357 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.01 -14.06 59.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.508 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.76 -31.0 13.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.93 -16.73 46.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.884 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.54 32.35 71.28 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -113.58 29.62 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 111.374 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -76.6 80.73 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.579 0.704 . . . . 0.0 110.617 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -100.34 146.95 32.87 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.55 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.97 -33.01 70.75 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.111 2.541 . . . . 0.0 112.784 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 93.0 m-20 -71.86 -21.07 61.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 111.199 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 17.7 mttm -76.85 -40.62 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.588 0.708 . . . . 0.0 109.314 173.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 10' ' ' TRP . 22.0 mt -72.06 -36.56 69.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.075 -175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -61.91 -32.73 73.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.311 0.577 . . . . 0.0 110.421 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 -32.94 66.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.596 177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.8 mt -64.04 -32.58 74.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.713 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.47 -57.98 9.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.952 0.406 . . . . 0.0 110.561 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtm -59.48 -47.94 83.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.318 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.58 -48.66 80.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.071 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -57.06 -52.46 65.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.05 79.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.898 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.7 m -70.65 -29.59 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.562 -174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -69.33 -36.71 77.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.535 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.4 mtm -73.89 -29.63 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.092 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.33 81.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.888 177.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.12 -44.57 75.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.03 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.594 HG21 ' SD ' ' A' ' 41' ' ' MET . 70.4 mt -62.77 -52.44 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.248 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.5 80.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.175 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.28 -42.6 75.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.047 0.451 . . . . 0.0 110.955 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 t -84.23 49.61 1.69 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.188 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HB3' ' HE2' ' A' ' 93' ' ' LYS . 9.1 pt-20 -78.78 81.23 5.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.968 0.889 . . . . 0.0 111.172 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.71 -19.66 65.8 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.707 176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.34 -10.35 59.51 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.144 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.54 -162.77 36.5 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.159 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.49 -16.43 12.65 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.837 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.9 m 72.63 127.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.653 0.739 . . . . 0.0 111.776 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.421 HD11 ' HB1' ' A' ' 128' ' ' ALA . 6.5 tt -76.33 -29.26 57.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.436 -174.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 m -59.65 -22.21 61.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.847 0.355 . . . . 0.0 110.829 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.8 m -90.69 -43.34 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.047 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 84' ' ' GLU . 61.6 mttp -53.23 -43.57 67.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.534 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -64.89 -18.94 65.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.2 m -91.08 -37.95 13.09 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 18.5 m -57.85 -43.08 85.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.504 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.609 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -59.73 -50.74 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.964 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.99 -34.3 74.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.745 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 t -69.16 -41.58 77.06 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.29 79.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.592 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.609 ' SD ' HG22 ' A' ' 97' ' ' ILE . 30.3 mtp -64.66 -45.1 88.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.732 177.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.446 ' O ' HD13 ' A' ' 106' ' ' LEU . 29.3 m -60.38 -47.33 86.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.205 177.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 39.4 t30 -60.29 -37.61 81.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.049 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.02 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.104 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 19.4 m-85 -61.37 -39.04 89.19 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.402 0.62 . . . . 0.0 110.577 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 102' ' ' SER . 5.2 mp -59.36 -38.06 79.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.422 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.3 mm-40 -82.58 -29.23 30.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.187 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 p -84.31 -66.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 111.733 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 t -108.44 -14.03 14.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.457 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.48 6.19 87.78 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.193 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 t -135.8 143.52 36.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.7 p -114.65 128.73 71.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 120.999 0.428 . . . . 0.0 111.022 -177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -89.21 98.18 11.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.487 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.422 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.0 tp60 -67.39 -46.82 49.21 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.082 -177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.2 Cg_exo -46.79 -44.14 22.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.542 2.161 . . . . 0.0 113.175 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -69.65 -40.5 76.46 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.797 -175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.418 HG23 ' HE2' ' A' ' 101' ' ' MET . 55.7 mt -65.89 -36.44 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.561 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.432 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.0 m-20 -60.5 -36.96 79.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.088 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.4 mt-10 -66.39 -47.52 73.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.498 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -57.18 -48.05 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.7 p -58.72 -42.15 88.02 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.492 HE21 ' HA ' ' A' ' 119' ' ' GLU . 22.5 pt20 -78.02 -9.48 59.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.523 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 81.2 mt -94.96 -41.9 8.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.461 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -53.93 -59.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 O-C-N 123.304 0.377 . . . . 0.0 111.051 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -45.07 89.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.145 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -63.35 -55.63 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.34 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.05 -28.94 69.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.611 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 90' ' ' LEU . . . -71.64 -58.25 3.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.737 0.303 . . . . 0.0 111.664 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.28 -19.22 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.099 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.47 ' HA ' ' CG1' ' A' ' 135' ' ' VAL . . . -65.0 -18.67 65.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 111.043 175.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -99.57 -0.35 56.67 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 65.6 mtt -95.3 -59.99 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.095 0.474 . . . . 0.0 109.953 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -98.59 166.92 11.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.576 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.02 91.7 5.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.805 0.812 . . . . 0.0 110.627 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 130' ' ' ALA . 7.9 p -141.52 12.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.801 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.1 m -107.06 79.74 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.788 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.421 -0.8 . . . . 0.0 109.855 -178.666 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -154.91 149.75 26.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.78 100.63 2.09 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.461 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -72.28 -21.68 61.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.997 0.427 . . . . 0.0 110.4 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -135.8 78.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.228 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -99.93 117.26 33.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.919 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 m -65.27 96.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.246 0.546 . . . . 0.0 111.007 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -139.02 136.99 18.71 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.621 -178.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' HG22 ' A' ' 8' ' ' THR . 45.7 Cg_endo -70.19 -13.02 33.11 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.533 2.155 . . . . 0.0 112.722 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -100.94 15.0 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.05 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -67.73 -64.38 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.151 0.5 . . . . 0.0 111.618 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -110.86 140.37 22.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.053 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.15 -42.76 52.1 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.839 2.36 . . . . 0.0 112.22 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.71 -39.78 97.14 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.585 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -69.46 -39.51 77.71 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.36 -0.494 . . . . 0.0 110.011 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.9 82.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.612 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.15 -38.21 87.56 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.098 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 108' ' ' THR . 23.9 m-80 -69.42 -37.12 77.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.419 177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.35 -52.02 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 23' ' ' PHE . 19.2 mmt -63.82 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.336 . . . . 0.0 111.466 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 11.7 m-80 -67.57 -52.62 36.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.631 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -61.61 -32.94 73.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.502 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 20' ' ' MET . 64.0 t80 -54.54 -58.97 5.41 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.695 175.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.9 tpp -70.61 -32.09 69.31 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.595 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 15.9 mm100 -60.6 -35.35 75.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.019 0.437 . . . . 0.0 110.523 175.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.94 13.16 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.005 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.63 -31.42 72.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.556 0.217 . . . . 0.0 111.571 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -71.34 -2.44 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.975 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -108.01 2.9 23.52 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.8 mmt -99.14 136.36 20.54 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 30' ' ' MET . 5.8 Cg_exo -75.37 164.49 32.57 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.55 2.167 . . . . 0.0 111.768 173.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.78 -27.79 9.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.659 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.22 161.91 16.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 37' ' ' GLN . 11.3 t -108.58 163.72 12.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 170.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.88 66.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -62.28 -32.86 73.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.095 0.474 . . . . 0.0 111.173 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG3' ' CG2' ' A' ' 34' ' ' THR . 74.5 mt-30 -80.85 -40.33 25.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.072 -178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.11 -39.96 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.572 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.16 -42.02 98.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.975 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' O ' HG12 ' A' ' 44' ' ' ILE . 13.5 t70 -66.53 -48.74 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.85 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.5 ttm -58.88 -40.76 85.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.302 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 15.5 t -63.75 -39.68 94.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.399 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -67.84 -42.52 81.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.817 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.0 mm -65.82 -36.98 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.308 0.575 . . . . 0.0 110.13 178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.61 -38.34 74.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.809 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.6 mm-40 -63.99 -33.72 76.37 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.189 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -63.73 -42.17 97.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.0 mtp -63.85 -42.03 97.67 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.066 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 93.8 t -56.61 -50.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.52 177.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.03 -35.94 78.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -66.93 -39.38 87.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.069 0.461 . . . . 0.0 110.202 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.7 mt -74.32 -32.39 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.192 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -53.06 -48.06 67.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 110.423 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.5 m -79.81 -34.36 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.123 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 HD11 ' HD2' ' A' ' 65' ' ' LYS . 44.7 tp -57.01 -49.46 75.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.62 7.02 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.68 -34.37 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.176 0.512 . . . . 0.0 109.743 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -83.45 -7.39 59.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.701 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.12 24.01 77.49 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.42 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 60' ' ' ARG . 49.1 mtt180 -99.19 18.24 17.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.225 0.536 . . . . 0.0 110.994 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -73.03 105.07 4.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.799 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.467 ' O ' HD22 ' A' ' 66' ' ' LEU . 3.4 m -119.58 149.31 47.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.93 -40.77 49.03 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.961 2.441 . . . . 0.0 113.153 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.25 -35.73 78.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HD2' HD11 ' A' ' 55' ' ' LEU . 30.8 mttp -66.82 -40.37 87.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.8 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -69.75 -33.9 73.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 110.093 178.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 23.3 tt0 -63.31 -40.32 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.24 -42.92 87.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 88.9 mt -64.79 -29.07 70.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 25.0 t-20 -60.75 -53.57 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.338 0.59 . . . . 0.0 109.995 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.7 mtm -68.57 -45.01 73.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.871 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -54.51 -46.44 73.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.82 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -58.67 -48.83 79.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.39 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.18 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.623 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.1 p -69.83 -39.0 76.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.8 m -61.88 -35.34 78.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.956 0.408 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.0 mtm -75.14 -36.61 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.953 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.29 -38.28 83.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.467 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.6 -47.09 83.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.409 0.623 . . . . 0.0 110.343 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.5 -38.06 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.684 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' ' 93' ' ' LYS . . . -66.6 -17.36 64.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.371 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.9 6.6 21.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.74 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 t -94.73 94.53 8.16 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.29 14.91 26.24 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.232 -174.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -52.3 8.47 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 49.3 4.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.057 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.66 87.2 1.7 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 89' ' ' SER . . . -78.0 118.57 5.0 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.527 -177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 23.1 t 169.58 92.08 0.0 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.29 0.636 . . . . 0.0 109.822 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' THR . 50.5 tp -70.74 -35.18 72.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.646 0.26 . . . . 0.0 110.356 176.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -53.16 -39.83 63.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.513 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 m -78.97 -44.03 23.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.768 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 89' ' ' SER . 61.9 mttp -53.46 -51.15 63.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 90' ' ' LEU . 10.2 t -69.69 -10.97 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.671 -175.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 m -95.11 -43.86 7.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.929 0.395 . . . . 0.0 110.415 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.523 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 54.1 m -55.11 -41.08 71.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.617 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.615 HG22 ' SD ' ' A' ' 101' ' ' MET . 68.9 mt -58.43 -47.06 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.02 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.43 99.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.145 -174.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.3 m -67.33 -32.64 73.73 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.0 0.429 . . . . 0.0 110.582 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.47 64.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.575 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.615 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.2 mtp -65.85 -44.48 85.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.196 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 27.0 t -64.35 -40.23 95.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.252 177.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 41.5 t-20 -55.36 -48.09 74.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.257 174.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.27 78.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.894 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -66.14 -32.17 73.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.229 0.538 . . . . 0.0 110.412 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 102' ' ' SER . 63.1 mt -73.81 -20.56 60.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.661 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 50.5 mm-40 -97.42 -18.66 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.1 p -92.32 -65.17 1.02 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.53 -34.98 6.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.007 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.61 -11.14 38.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.991 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.5 t -111.55 142.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.9 t -103.65 137.36 32.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.087 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -109.52 102.79 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.564 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.2 tp60 -66.57 -49.68 50.13 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 7.8 Cg_endo -49.33 -37.07 39.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.807 2.338 . . . . 0.0 114.142 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -73.4 -24.14 60.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.908 0.385 . . . . 0.0 111.073 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.8 mt -76.13 -33.11 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.458 0.646 . . . . 0.0 109.672 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -61.46 -45.63 93.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.541 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.9 mt-10 -62.73 -55.56 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.391 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.53 -48.35 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.696 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.2 p -58.26 -42.42 86.41 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.17 -40.3 94.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 67.8 mt -70.21 -35.63 74.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.134 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 120' ' ' ILE . 87.0 t -56.84 -59.09 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 121.62 0.724 . . . . 0.0 109.659 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 m -58.97 -25.32 63.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.821 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 25.6 ttm -82.36 -60.21 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.19 0.519 . . . . 0.0 111.036 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -69.61 -24.79 63.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.332 -172.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.46 98.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.197 0.522 . . . . 0.0 110.881 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -65.77 -30.13 70.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.997 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.92 -6.76 53.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.08 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -100.99 -21.77 11.54 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 59.1 mtt -79.62 -43.95 21.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.222 0.534 . . . . 0.0 110.265 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -99.35 139.16 35.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.778 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.9 74.3 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.279 0.561 . . . . 0.0 110.823 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -102.9 13.75 6.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 122.215 1.007 . . . . 0.0 109.067 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.4 m -78.38 91.18 4.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.426 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.755 174.483 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.876 -0.489 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -84.57 45.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.853 0.359 . . . . 0.0 111.213 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.62 -120.11 17.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.066 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -114.02 51.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 0.0 109.734 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -144.98 147.44 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.494 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -128.72 116.83 20.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.626 0.251 . . . . 0.0 110.616 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.8 m -74.37 98.43 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 110.514 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.9 m -146.21 138.98 14.08 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 35.0 Cg_endo -64.74 -17.82 60.66 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.603 2.202 . . . . 0.0 112.944 -176.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -96.23 5.31 51.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.221 -175.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -73.46 -27.71 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 0.0 111.042 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -136.43 135.84 21.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.5 Cg_exo -53.65 -43.42 57.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.844 2.362 . . . . 0.0 111.759 173.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.03 -38.19 95.67 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.466 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -68.9 -40.21 79.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.768 0.318 . . . . 0.0 110.171 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.4 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.673 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 10.2 pt-20 -65.79 -39.68 91.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.167 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -68.85 -38.29 79.68 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.688 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.41 -47.52 81.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.217 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 24' ' ' MET . 25.5 mmt -65.29 -37.37 86.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 6.1 m-80 -58.46 -54.43 47.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.702 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -67.4 -31.44 71.65 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 80.5 t80 -58.11 -55.22 37.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.682 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.554 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.9 mmm -64.71 -33.86 76.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.692 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 57.8 mt-30 -58.08 -49.08 78.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.025 0.44 . . . . 0.0 110.803 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -77.46 -33.1 44.64 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.224 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 23' ' ' PHE . 13.6 tp -68.8 -32.69 72.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 111.007 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.0 m -97.67 -5.48 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.449 . . . . 0.0 110.231 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.453 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.4 mmt -85.58 133.62 41.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 -177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.82 144.87 31.5 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.573 2.182 . . . . 0.0 112.2 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.35 -26.78 5.7 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -109.37 -170.97 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.389 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 8.8 t -154.24 168.8 25.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.075 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.24 -42.11 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.27 0.356 . . . . 0.0 111.74 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -46.12 91.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.101 0.476 . . . . 0.0 110.482 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 84' ' ' GLU . 70.0 mt-30 -68.8 -38.29 79.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.967 -178.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.4 mt -67.51 -36.1 80.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.77 -46.02 83.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.275 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.487 ' O ' HG12 ' A' ' 44' ' ' ILE . 14.0 t70 -64.81 -43.83 91.86 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.93 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.8 ttm -60.92 -41.1 95.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.863 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 24.7 m -62.68 -41.67 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.069 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.2 m -64.66 -45.5 86.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.061 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.2 mm -65.32 -35.8 76.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.257 0.551 . . . . 0.0 110.075 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.68 -36.76 72.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.359 175.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 42' ' ' SER . 24.5 mm-40 -67.69 -37.1 81.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.248 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 m -61.97 -42.61 99.32 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 110.045 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.8 mmm -58.82 -50.15 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.5 t -57.72 -49.62 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -57.23 -36.59 71.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.817 0.341 . . . . 0.0 111.57 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -67.57 -45.56 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.549 . . . . 0.0 110.078 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.3 mt -68.37 -33.36 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.187 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.2 mm-40 -51.82 -39.21 58.38 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.004 0.43 . . . . 0.0 110.929 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -92.06 -40.11 11.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.12 -50.52 72.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.412 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.75 -2.21 49.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.45 -38.15 9.31 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -79.11 0.81 26.57 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.842 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.44 32.61 84.77 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.601 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.456 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 96.6 mtt180 -107.88 17.75 22.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.298 0.57 . . . . 0.0 110.785 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.91 80.88 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.167 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -83.4 149.65 58.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.692 176.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.54 -40.04 29.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.971 2.447 . . . . 0.0 112.714 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.324 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.1 mttm -64.79 -44.95 88.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.923 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 26.3 tt0 -62.01 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.433 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HA ' ' CE ' ' A' ' 71' ' ' MET . . . -65.68 -34.52 78.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.884 178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 84.5 mt -65.15 -28.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.737 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.526 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 9.0 t30 -59.71 -56.25 24.14 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.152 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.431 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 66.8 mtm -62.48 -42.17 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.017 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -58.78 6.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -58.82 -49.75 76.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.638 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.34 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.5 p -70.61 -30.3 66.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.419 -175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB3' HG21 ' A' ' 44' ' ' ILE . 55.8 m -62.94 -36.83 84.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.086 0.47 . . . . 0.0 110.852 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.9 mtm -76.64 -33.64 58.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.963 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.97 91.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.259 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.56 -43.54 68.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.219 0.533 . . . . 0.0 111.041 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 76.6 mt -76.91 -46.13 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.02 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.52 68.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.076 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.25 -33.1 67.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.894 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 t -93.95 65.86 3.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.488 ' HA ' ' NE2' ' A' ' 37' ' ' GLN . 8.7 pt-20 -81.4 82.67 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.825 0.821 . . . . 0.0 111.519 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.69 -56.54 13.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.42 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 -17.11 79.08 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.433 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.17 -122.95 7.76 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.885 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.56 -145.49 31.65 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 m -142.79 145.92 33.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.915 0.357 . . . . 0.0 110.359 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.74 -35.55 81.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -57.44 -32.51 66.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 m -79.05 -39.23 34.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.062 0.458 . . . . 0.0 110.191 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.15 -43.63 95.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.455 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -68.48 -29.92 68.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.707 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -84.39 -34.9 23.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.304 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 30' ' ' MET . 3.2 p -66.83 -43.26 84.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.006 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 88.9 mt -55.97 -48.6 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.408 . . . . 0.0 110.545 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.21 83.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.421 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.0 t -73.9 -41.72 61.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.9 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.781 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtm -66.16 -45.08 82.22 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.711 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.2 m -57.58 -45.41 85.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.412 0.625 . . . . 0.0 109.893 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 38.4 t30 -64.07 -36.81 85.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.068 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.48 88.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.127 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.525 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 33.0 m-85 -58.98 -36.71 75.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.284 0.564 . . . . 0.0 109.927 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.23 -21.01 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.936 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.8 mm-40 -95.58 -16.96 21.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.2 p -103.42 -67.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.844 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 t -104.81 -18.78 14.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.75 -14.97 63.46 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.819 175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.5 t -119.04 145.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.3 t -97.62 133.06 40.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.418 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -97.64 96.46 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.073 0.463 . . . . 0.0 109.943 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.615 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.3 tp60 -65.76 -49.25 60.74 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.263 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -43.22 -47.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.373 2.715 . . . . 0.0 114.272 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -72.68 -42.23 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.26 -31.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.6 m-20 -61.3 -42.69 99.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.48 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -74.95 -45.26 43.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.544 -177.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.23 -51.22 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 O-C-N 122.96 0.163 . . . . 0.0 111.269 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.7 p -57.54 -37.37 72.96 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.96 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 28.7 mm-40 -67.64 -45.99 73.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 mp -69.83 -40.06 76.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.329 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 120' ' ' ILE . 66.8 t -52.48 -59.7 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 121.742 0.782 . . . . 0.0 110.164 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 m -54.36 -36.59 64.01 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 113.947 -1.479 . . . . 0.0 112.112 -176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 56.4 ttp -80.17 -49.46 11.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.973 0.416 . . . . 0.0 111.333 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -70.39 -26.18 63.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.83 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -64.85 -46.87 80.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 110.681 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -64.1 -43.63 94.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.592 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.21 -6.57 46.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.636 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.44 -12.65 35.1 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.802 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 68.7 mtt -78.35 -85.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 110.798 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.93 176.28 2.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.0 t70 68.07 21.39 8.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.916 0.865 . . . . 0.0 109.827 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -97.5 66.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.911 1.338 . . . . 0.0 110.183 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.5 m -147.54 109.7 4.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.233 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.623 -177.697 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.797 -0.521 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 65.59 14.64 9.62 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.86 0.464 . . . . 0.0 111.799 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.04 40.22 2.3 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.433 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -131.31 -24.97 2.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.926 0.394 . . . . 0.0 110.241 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p -97.84 -10.5 24.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.096 0.474 . . . . 0.0 111.244 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -90.06 80.64 6.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 109.656 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -65.37 110.47 2.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.46 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -128.52 141.63 42.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' HG22 ' A' ' 8' ' ' THR . 35.9 Cg_endo -65.6 -20.99 59.96 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.409 2.073 . . . . 0.0 112.494 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -99.46 23.36 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -71.08 -49.52 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.827 0.346 . . . . 0.0 111.677 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -122.5 146.53 47.74 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.451 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.6 -51.97 7.99 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 123.167 2.578 . . . . 0.0 112.219 177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.48 -28.81 73.66 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.172 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.86 -59.64 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.47 -39.91 70.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.641 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.67 -52.33 64.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.627 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.05 -32.41 73.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.643 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.71 -50.9 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.322 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.67 -36.1 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.532 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.6 m-80 -60.17 -52.83 63.67 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.466 176.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -69.34 -29.94 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.679 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -57.4 -51.19 70.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.211 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.9 mmt -67.56 -32.05 72.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.246 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.3 mm100 -58.24 -33.06 68.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.101 0.477 . . . . 0.0 111.078 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -92.92 -35.97 6.2 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.113 177.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -63.68 -20.24 65.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.076 0.465 . . . . 0.0 110.968 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -101.06 2.65 40.62 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.846 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.8 mmt -84.72 125.82 70.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.952 -178.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.69 132.17 21.32 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.729 2.286 . . . . 0.0 111.93 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 130.8 -28.46 3.72 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.996 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -108.59 -173.19 2.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.996 0.426 . . . . 0.0 110.759 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.551 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 t -153.17 163.16 40.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.99 -37.19 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.436 0.46 . . . . 0.0 111.594 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -61.22 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.49 -30.24 57.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.072 0.463 . . . . 0.0 110.274 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 34' ' ' THR . 83.6 mt -71.88 -36.53 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.714 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -55.63 -55.75 28.4 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' O ' HG12 ' A' ' 44' ' ' ILE . 2.4 m-20 -63.8 -39.47 94.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.0 ttm -63.11 -37.89 89.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.766 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 48.3 t -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 177.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.0 m -66.98 -34.41 77.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.886 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.1 mm -65.57 -39.78 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 109.85 175.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.48 71.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.352 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.4 mm-40 -62.87 -35.36 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.646 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -69.67 -20.22 63.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.449 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 tpp -88.24 -57.01 3.08 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.685 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 47.2 t -66.46 -52.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.612 -173.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -20.15 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.69 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 t -75.36 -45.37 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.16 -29.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.4 mm-40 -52.95 -38.7 62.28 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.192 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -97.15 -32.8 11.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.345 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.01 -48.41 80.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.54 -6.82 59.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.697 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.85 -33.18 12.93 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.47 -6.67 56.26 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.859 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.52 49.87 47.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.202 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -124.98 18.98 8.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 0.0 110.235 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -86.46 98.42 11.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.601 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -100.79 146.67 32.48 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.828 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.26 -31.58 47.06 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.066 2.51 . . . . 0.0 112.413 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.6 -35.38 75.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.927 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 62.8 mttt -71.22 -40.92 70.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 -175.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.65 -32.48 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.079 0.466 . . . . 0.0 110.067 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.47 -44.35 87.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.627 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.0 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.745 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.7 mt -66.17 -25.45 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.447 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.493 HD21 ' HB2' ' A' ' 119' ' ' GLU . 22.9 t-20 -49.08 -52.43 25.73 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.6 0.562 . . . . 0.0 111.718 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -66.42 -59.19 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.211 -173.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -27.59 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.762 -173.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -61.39 -48.32 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.991 0.424 . . . . 0.0 110.052 175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.34 -47.91 74.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.51 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.655 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 78.5 p -65.96 -38.94 89.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.943 -173.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 m -63.14 -34.93 78.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.832 0.348 . . . . 0.0 110.911 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.6 mtm -74.79 -35.71 62.52 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.541 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -61.7 -40.43 95.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.597 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' 75' ' ' SER . 34.3 mt-10 -61.99 -32.24 72.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.111 0.482 . . . . 0.0 110.765 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.5 mt -77.15 -45.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.456 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.19 -29.15 70.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.942 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.68 -42.54 41.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.565 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -80.56 70.96 7.38 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -71.39 90.56 0.96 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.031 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -72.39 90.54 1.3 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.616 168.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.99 -148.48 19.58 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.4 113.43 0.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.61 -138.32 2.64 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.33 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -147.61 132.3 17.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.806 0.336 . . . . 0.0 110.368 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.0 -32.88 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 m -62.94 -34.07 76.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 m -81.38 -36.04 30.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 120.89 0.376 . . . . 0.0 110.03 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 32' ' ' GLY . 45.1 mttt -57.42 -52.21 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.972 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.414 HG21 ' OG ' ' A' ' 125' ' ' SER . 22.9 p -59.94 -44.78 94.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 111.202 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -63.2 -36.65 84.35 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.136 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 74.0 m -63.35 -47.84 80.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.387 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.64 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.7 mt -58.96 -49.14 84.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.556 -178.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.19 73.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.705 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 t -72.18 -34.37 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 0.0 109.831 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.89 56.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.645 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.64 ' SD ' HG22 ' A' ' 97' ' ' ILE . 24.2 mtp -65.21 -46.16 81.83 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.46 ' O ' HD13 ' A' ' 106' ' ' LEU . 12.4 p -63.92 -46.33 85.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.089 0.471 . . . . 0.0 110.41 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 36.4 t30 -58.17 -41.47 83.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.944 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.001 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -41.67 97.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.314 0.578 . . . . 0.0 109.995 174.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 102' ' ' SER . 5.8 mp -61.75 -30.93 71.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.566 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 20.0 mm-40 -84.61 -32.27 23.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.299 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 p -86.46 -43.93 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 111.4 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -119.35 -37.43 3.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.944 0.402 . . . . 0.0 111.368 -174.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.34 -5.55 52.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.39 154.27 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.33 132.07 70.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.273 0.559 . . . . 0.0 111.223 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -84.09 100.9 11.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.944 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.2 tp60 -68.69 -49.56 28.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.6 -177.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.8 Cg_endo -46.35 -46.31 17.2 Favored 'Trans proline' 0 C--N 1.365 1.423 0 C-N-CA 123.192 2.594 . . . . 0.0 114.103 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' O ' HD13 ' A' ' 120' ' ' ILE . 15.0 m-85 -70.97 -40.25 72.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.535 -176.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.0 mt -63.1 -37.81 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.57 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.602 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 94.7 m-20 -59.69 -48.73 80.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.493 ' HB2' HD21 ' A' ' 70' ' ' ASN . 45.0 mt-10 -65.45 -47.94 74.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.226 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.709 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -53.45 -52.21 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 121.32 -0.152 . . . . 0.0 111.114 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.8 p -58.56 -39.57 80.65 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.9 mm-40 -67.86 -45.0 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.274 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.15 -36.74 82.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.419 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.1 t -54.16 -58.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.567 0.699 . . . . 0.0 109.781 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.414 ' OG ' HG21 ' A' ' 94' ' ' THR . 58.2 m -55.76 -41.23 73.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.705 -178.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -72.06 -54.48 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.199 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.88 -27.55 69.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.602 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.78 93.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.077 0.465 . . . . 0.0 111.051 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.01 -36.65 85.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.65 -5.19 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.054 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -101.08 -4.17 54.14 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 63.8 mtt -102.93 -39.48 6.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -114.22 128.51 56.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.334 175.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -75.02 91.79 2.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 136' ' ' SER . 3.3 p -110.37 -54.23 5.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.526 ' HB2' ' O ' ' A' ' 135' ' ' VAL . 10.7 t 164.77 133.22 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.215 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.12 178.144 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -63.52 105.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 0.0 110.976 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.95 48.11 2.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.475 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -79.74 -75.96 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.348 0.594 . . . . 0.0 109.674 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -116.17 -53.34 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 65.35 16.93 10.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.55 171.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 t -98.97 159.94 14.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.97 0.414 . . . . 0.0 110.231 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.492 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -92.6 139.45 23.67 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.83 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' HG22 ' A' ' 8' ' ' THR . 36.4 Cg_endo -66.66 -16.46 50.6 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.637 2.224 . . . . 0.0 112.992 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -91.53 16.16 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.611 0.243 . . . . 0.0 111.163 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -72.39 -37.11 68.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.0 111.586 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 15.7 t30 -132.99 129.19 20.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.484 0.659 . . . . 0.0 111.18 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 48.4 Cg_exo -51.58 -39.39 65.52 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 123.934 3.09 . . . . 0.0 111.814 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.86 -43.26 99.19 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.086 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.9 tp -64.95 -44.57 88.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.596 0.236 . . . . 0.0 110.392 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -60.61 -42.5 96.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.56 -58.73 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -56.62 -33.32 66.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.512 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.78 -50.16 72.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.255 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 25.8 mmt -64.5 -39.53 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.546 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -56.29 16.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.772 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -68.57 -29.7 68.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.951 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 81.9 t80 -57.45 -50.63 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.355 177.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 51.3 mmm -63.8 -35.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.28 -39.8 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.98 -38.91 17.93 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.069 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -62.97 -34.02 76.63 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.679 0.391 . . . . 0.0 111.073 -177.237 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.488 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.5 p -69.35 -15.24 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -100.8 8.92 42.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.1 mmt -100.81 115.24 65.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.592 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -71.61 106.63 2.0 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.617 2.212 . . . . 0.0 112.53 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.12 -37.61 0.41 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.332 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.702 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 66.1 m-85 -96.69 144.55 26.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.512 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.457 HG22 ' HG2' ' A' ' 37' ' ' GLN . 9.0 t -102.76 171.98 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.44 76.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.559 -175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -62.72 -40.02 95.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.191 0.519 . . . . 0.0 110.791 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HG2' HG22 ' A' ' 34' ' ' THR . 13.2 mm-40 -71.5 -40.25 70.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.877 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.513 ' CD1' HD12 ' A' ' 27' ' ' LEU . 5.3 tp -64.2 -40.45 96.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.1 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.62 -38.06 89.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.371 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.2 t70 -66.27 -47.89 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.415 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.7 mtt -50.54 -54.21 24.24 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.552 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.3 t -58.65 -42.82 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.341 -174.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 m -67.94 -45.72 73.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.55 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.5 mm -64.81 -39.67 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.201 0.524 . . . . 0.0 110.048 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.21 -39.75 72.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.438 175.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 42' ' ' SER . 20.2 mm-40 -65.82 -35.02 79.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.768 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -62.67 -44.67 95.65 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.852 -175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.5 ppp? -72.5 -31.27 65.23 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.354 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 84.9 t -67.14 -41.67 87.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.624 0.249 . . . . 0.0 110.539 175.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 30.3 mm-40 -60.98 -30.18 70.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.027 0.442 . . . . 0.0 110.617 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -70.7 -38.75 73.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.782 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -67.89 -36.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.766 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.6 mm-40 -50.05 -52.28 35.65 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.389 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -74.07 -37.07 64.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.687 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD11 ' HD2' ' A' ' 65' ' ' LYS . 30.8 tp -56.43 -50.21 72.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.243 -177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.17 -0.81 55.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.76 -33.36 11.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.336 0.588 . . . . 0.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -94.39 1.86 55.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.274 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.04 46.92 93.58 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.521 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -123.66 21.64 9.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.213 0.53 . . . . 0.0 110.258 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -74.61 79.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.211 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -92.4 140.82 24.27 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -51.24 -32.12 39.59 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.011 2.474 . . . . 0.0 113.584 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -59.73 -32.76 70.85 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.071 0.463 . . . . 0.0 110.804 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 10.2 mttm -72.47 -35.78 68.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 109.704 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.43 -34.28 60.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.93 -40.63 96.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.01 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.33 75.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.881 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.0 mt -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.642 177.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.88 -52.45 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.218 0.533 . . . . 0.0 110.21 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.1 mtm -68.94 -49.33 58.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 72' ' ' ARG . 27.8 mtt180 -56.53 -48.46 77.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.603 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.83 -48.89 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.012 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 -52.4 62.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.086 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -69.52 -29.37 66.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 m -67.1 -36.98 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.642 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -77.38 -30.43 53.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.412 . . . . 0.0 110.183 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -56.14 -45.18 79.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.422 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -62.3 -36.7 82.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 0.0 110.796 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.33 -44.78 90.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.504 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.25 -25.83 62.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.304 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.36 40.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.689 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 t -75.81 78.91 2.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.85 111.12 0.55 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.642 -1.163 . . . . 0.0 113.107 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.79 124.7 8.56 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.162 -1.381 . . . . 0.0 108.03 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.98 -47.85 1.0 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 105.38 101.85 2.74 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.592 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.53 155.38 14.36 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.502 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.46 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 29.6 t -64.9 153.67 39.64 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.542 -0.387 . . . . 0.0 110.401 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -47.88 65.32 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.0 t -52.92 -39.62 62.94 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.542 0.526 . . . . 0.0 111.172 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.5 m -61.52 -43.97 97.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.381 0.61 . . . . 0.0 110.127 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.702 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.6 mtmm -75.98 -38.35 57.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.449 -174.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.254 0.549 . . . . 0.0 110.511 174.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.8 m -70.12 -23.19 62.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.269 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.6 m -69.86 -33.06 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.055 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.606 HG22 ' SD ' ' A' ' 101' ' ' MET . 62.7 mt -71.6 -48.66 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -61.88 -38.03 86.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.258 -175.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 p -69.02 -44.67 72.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.358 0.599 . . . . 0.0 110.119 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.94 -36.21 80.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.895 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.606 ' SD ' HG22 ' A' ' 97' ' ' ILE . 25.8 mtp -66.0 -48.25 71.82 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.4 t -59.58 -49.18 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.237 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 29.7 t30 -60.29 -40.46 90.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.423 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.29 85.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.31 . . . . 0.0 111.487 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -32.93 73.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.501 0.667 . . . . 0.0 109.313 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.434 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 14.1 tp -61.29 -25.55 67.18 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.122 -0.944 . . . . 0.0 112.163 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 54.4 mm-40 -94.75 -27.27 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 111.236 -177.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.1 p -84.75 -58.77 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.726 -174.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 t -103.2 -19.61 14.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 0.0 110.891 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 95.35 -11.26 69.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 175.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.3 t -127.01 148.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.52 117.6 51.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.13 97.49 11.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -53.18 -53.89 50.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.774 -1.103 . . . . 0.0 113.513 -171.244 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.7 Cg_endo -43.55 -42.75 11.18 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 123.752 2.968 . . . . 0.0 115.337 -171.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -73.65 -23.27 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.146 -0.346 . . . . 0.0 111.552 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 21.9 mt -73.6 -31.59 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 110.154 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -66.16 -39.22 89.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.691 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 123' ' ' LEU . 37.1 mt-10 -65.6 -55.17 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.953 -178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.79 -47.23 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.624 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 12.4 p -59.99 -43.11 95.37 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -174.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -69.23 -36.62 77.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.8 mp -68.59 -41.33 79.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.994 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 120' ' ' ILE . 83.8 t -57.94 -50.96 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 t -56.35 -42.74 78.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.166 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 49.3 ttp -77.06 -52.82 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.048 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.38 -26.03 65.36 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -173.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.95 -53.61 53.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 0.0 111.038 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.53 -26.85 68.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.828 0.347 . . . . 0.0 111.042 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.51 -2.14 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.982 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.19 0.03 19.05 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.214 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.28 -93.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.082 0.468 . . . . 0.0 110.929 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -178.42 -178.22 0.6 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.843 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.2 t70 63.77 20.25 12.13 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.789 0.804 . . . . 0.0 111.189 175.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.85 5.89 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 122.175 0.988 . . . . 0.0 109.638 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 p -93.75 78.14 4.24 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.787 -177.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.142 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.794 -0.523 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -90.26 140.66 29.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.809 0.338 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.04 167.77 33.44 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 176.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -66.52 -61.19 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.74 0.27 . . . . 0.0 110.388 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -155.31 89.18 1.19 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.283 0.563 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -83.04 81.57 8.62 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -96.29 147.48 23.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.503 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 4.6 m -157.62 145.09 13.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.0 Cg_endo -57.68 -14.18 16.5 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.917 2.412 . . . . 0.0 113.142 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -100.43 19.5 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.072 0.463 . . . . 0.0 109.89 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.7 t -70.08 -33.95 72.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.481 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -147.14 150.42 38.19 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.541 -175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 52.8 Cg_exo -53.73 -50.39 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.968 2.445 . . . . 0.0 111.543 173.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.66 41.89 2.59 Favored Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.959 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.98 -55.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.16 -42.02 65.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.614 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.56 -35.35 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.526 -177.345 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -64.77 -37.69 88.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.018 0.437 . . . . 0.0 110.178 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.73 -50.44 72.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.866 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.73 -35.6 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.741 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -62.56 -54.21 43.19 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.559 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -64.7 -31.36 72.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.617 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 63.8 t80 -58.94 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.511 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.2 mmt -66.68 -40.67 88.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.996 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.25 -31.75 73.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.296 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.57 -42.15 14.52 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.396 173.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -59.45 -36.03 75.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.045 0.538 . . . . 0.0 111.228 -178.121 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -72.41 -7.08 47.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.698 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -106.92 0.04 23.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.322 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 23.3 mmt -98.08 133.3 23.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.301 -175.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -76.27 143.55 25.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.46 2.107 . . . . 0.0 111.941 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.7 -28.1 6.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.611 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -109.02 -165.84 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -161.41 170.63 19.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.52 68.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.226 0.329 . . . . 0.0 111.479 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -58.87 -46.61 87.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.541 ' HG3' HG22 ' A' ' 80' ' ' ILE . 1.9 mp0 -64.34 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.119 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD11 HD12 ' A' ' 27' ' ' LEU . 9.1 mp -69.18 -34.02 74.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.641 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -61.0 -51.26 70.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.85 0.357 . . . . 0.0 110.29 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.2 m-20 -62.06 -42.78 99.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.506 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.3 ttm -62.72 -37.33 86.08 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.672 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 47.1 t -63.92 -45.01 91.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.4 m -59.53 -44.13 93.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.07 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.4 mm -66.43 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.166 0.508 . . . . 0.0 110.076 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.49 68.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.577 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.9 mm-40 -66.88 -40.1 87.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.491 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -61.21 -36.71 80.65 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.981 0.42 . . . . 0.0 110.14 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.5 tpp -64.51 -57.2 9.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 88.9 t -57.26 -46.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.524 -176.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -62.92 -30.5 71.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 111.616 -175.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -76.55 -31.3 57.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.901 0.381 . . . . 0.0 110.327 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.63 -38.82 79.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.7 mm100 -55.83 -40.14 72.4 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.51 175.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.8 m -70.42 -43.13 70.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.895 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.64 -43.4 93.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.422 0.154 . . . . 0.0 111.313 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.82 61.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.94 0.4 . . . . 0.0 111.624 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.89 -31.83 13.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.392 0.615 . . . . 0.0 109.812 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -85.41 -14.83 45.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.624 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.43 29.11 71.83 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -120.4 34.76 5.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.784 -0.208 . . . . 0.0 111.389 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.531 ' O ' ' HD3' ' A' ' 65' ' ' LYS . 1.7 m -65.78 -70.87 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.689 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.448 ' HB2' ' HD2' ' A' ' 63' ' ' PRO . 88.3 p 50.8 160.46 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 124.567 1.147 . . . . 0.0 112.817 -175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 62' ' ' SER . 42.0 Cg_endo -69.11 -15.74 39.76 Favored 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 121.627 1.551 . . . . 0.0 112.116 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.654 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.1 t-20 -74.76 -39.59 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.728 -175.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.531 ' HD3' ' O ' ' A' ' 61' ' ' THR . 0.8 OUTLIER -69.05 -39.49 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -39.4 92.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.236 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -68.06 -34.12 75.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.103 0.478 . . . . 0.0 110.286 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.59 -43.3 60.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.572 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 92.1 mt -60.32 -33.54 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.209 176.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -55.08 -42.96 73.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.291 0.567 . . . . 0.0 111.024 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.4 mtm -79.49 -44.9 20.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.538 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.53 -31.32 70.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.44 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -64.03 -44.31 92.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 0.0 110.691 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.76 88.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.311 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.3 p -72.21 -36.57 69.2 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -65.66 -38.36 89.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 110.739 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.8 mtm -69.89 -33.96 72.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.159 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.87 83.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.95 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 75' ' ' SER . 68.7 mm-40 -56.93 -45.4 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.233 0.54 . . . . 0.0 110.293 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.541 HG22 ' HG3' ' A' ' 37' ' ' GLN . 83.9 mt -68.91 -45.71 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.004 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.2 -27.25 68.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.652 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.55 -33.71 69.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -102.81 72.58 1.22 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.23 148.45 29.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.107 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -113.24 -72.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.963 -178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.92 -63.27 1.83 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.707 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.73 110.87 3.13 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.832 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 82.72 0.69 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.262 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.8 p 177.57 123.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.517 0.327 . . . . 0.0 110.442 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.1 tp -86.31 -26.97 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.971 0.415 . . . . 0.0 110.307 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -57.09 -44.65 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.167 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.3 m -76.46 -30.65 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.151 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' SER . 64.6 mttp -61.36 -46.42 90.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.3 p -60.3 -45.09 94.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.817 0.341 . . . . 0.0 111.524 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -34.49 78.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -65.77 -39.84 91.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.746 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 101' ' ' MET . 68.3 mt -65.32 -43.92 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 0.0 110.059 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -59.71 -46.37 89.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.998 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -69.06 -44.2 73.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.022 0.439 . . . . 0.0 110.6 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.66 92.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.963 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.8 mtm -67.32 -44.8 78.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.661 0.267 . . . . 0.0 111.013 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t -57.62 -46.29 84.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.263 0.554 . . . . 0.0 109.885 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 16.4 t30 -62.26 -39.73 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.04 177.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.36 -40.56 81.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.712 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.431 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 17.3 t80 -70.68 -30.57 67.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.492 0.663 . . . . 0.0 109.349 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 106' ' ' LEU . 11.5 tp -61.85 -25.97 67.85 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.575 174.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 48.5 mm-40 -96.77 -12.94 23.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.491 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 2.7 p -99.17 -31.01 11.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.043 0.449 . . . . 0.0 110.982 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.9 p -123.96 -42.26 2.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.6 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.83 -1.93 38.77 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.5 t -120.54 156.48 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.43 122.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.673 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -101.56 101.44 12.01 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -78.88 -46.17 1.79 Allowed Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.23 -50.69 5.29 Favored 'Trans proline' 0 C--N 1.365 1.412 0 C-N-CA 123.106 2.537 . . . . 0.0 114.363 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -67.22 -40.72 86.44 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 31.6 mt -61.97 -37.68 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.591 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -60.41 -50.88 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.62 -47.45 84.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.219 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.93 -51.94 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.46 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 98' ' ' ALA . 31.7 p -58.91 -43.01 90.96 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -72.34 -30.54 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.116 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 mp -75.53 -37.87 59.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.999 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.5 t -55.47 -52.3 48.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.08 0.467 . . . . 0.0 110.059 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -57.37 -50.35 73.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.974 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.5 ttp -64.29 -49.57 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.788 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -70.81 -28.61 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.18 81.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 111.668 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.8 60.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -104.1 9.04 50.15 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.0 mtt -108.72 -63.35 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.212 0.529 . . . . 0.0 109.958 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.28 165.86 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.052 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.32 94.27 3.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.909 0.861 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.11 -1.85 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.246 1.022 . . . . 0.0 109.212 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.4 m -82.83 76.69 9.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.384 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.226 -179.676 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -72.28 -45.23 60.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.847 0.356 . . . . 0.0 110.478 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.7 44.79 3.29 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.308 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -155.26 -47.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -68.36 88.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.296 0.569 . . . . 0.0 111.036 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -78.77 127.37 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.126 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 m -60.61 115.99 4.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.858 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.526 ' HB ' HG23 ' A' ' 11' ' ' THR . 1.5 m -132.7 134.57 24.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 176.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' HG22 ' A' ' 8' ' ' THR . 72.3 Cg_endo -75.61 -12.81 20.33 Favored 'Trans proline' 0 CA--C 1.526 0.093 0 C-N-CA 122.699 2.266 . . . . 0.0 113.527 -172.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.437 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.3 m95 -103.59 13.03 34.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.129 -173.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.526 HG23 ' HB ' ' A' ' 8' ' ' THR . 9.5 p -75.74 -54.39 7.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.0 111.243 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.46 135.31 19.4 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.894 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -64.39 -36.29 45.54 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.417 2.078 . . . . 0.0 111.879 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.89 -31.29 69.92 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.485 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.82 -46.01 73.06 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.97 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.096 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.75 -52.51 64.73 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.603 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -68.52 -36.76 79.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.378 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -59.53 -50.0 75.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.434 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 18.9 mmt -64.07 -31.27 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 7.9 m-80 -68.3 -53.85 21.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.602 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.4 m -63.42 -29.21 70.54 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.019 0.438 . . . . 0.0 110.658 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.58 -51.38 70.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.301 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.0 mmt -71.07 -32.48 69.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.84 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 55.4 mt-30 -58.2 -33.13 68.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 110.347 176.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.532 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -90.25 -40.9 5.66 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.182 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.3 -34.91 74.45 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.595 0.358 . . . . 0.0 110.842 -177.205 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.0 t -69.79 -8.22 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.16 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -118.76 12.96 13.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.044 0.45 . . . . 0.0 110.761 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -94.16 138.31 22.6 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.05 139.55 39.49 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.91 2.406 . . . . 0.0 113.009 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.6 -39.94 2.63 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.714 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 95.8 m-85 -88.91 -175.97 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.0 t -156.76 168.37 27.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.942 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.52 -38.11 68.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -65.87 -37.69 86.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 0.0 110.195 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.508 HE21 ' HG2' ' A' ' 85' ' ' GLU . 76.4 mt-30 -74.54 -34.91 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.822 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 34' ' ' THR . 91.0 mt -65.15 -39.64 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -57.63 -49.68 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.773 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -65.37 -49.38 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.934 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.71 -43.65 98.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.376 -175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.9 t -64.56 -36.83 85.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.895 -178.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.2 m -65.46 -41.35 93.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' A' ' 76' ' ' SER . 42.2 mm -66.61 -37.81 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.123 0.487 . . . . 0.0 109.845 177.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HB1' ' SD ' ' A' ' 20' ' ' MET . . . -58.09 -38.9 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.549 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.3 mm-40 -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.575 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t -62.19 -37.27 84.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.249 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 55.1 mtp -68.57 -48.21 64.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.2 t -57.54 -47.84 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.962 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -64.37 -26.31 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 t -76.77 -46.92 23.29 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.71 -30.33 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.136 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 77.7 mm-40 -50.53 -39.46 49.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.265 176.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -96.94 -37.98 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.83 -42.43 93.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.73 0.3 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.42 -13.27 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.681 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.54 -31.0 15.38 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -83.01 -4.81 58.72 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.638 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.62 31.96 81.68 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.572 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -110.85 19.09 18.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.553 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 10.0 t -99.72 68.18 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.342 1.068 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -74.35 159.61 83.26 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.561 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.27 -32.36 10.48 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.512 2.808 . . . . 0.0 113.3 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -60.52 -34.41 74.06 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.456 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -65.7 -45.63 82.07 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.53 -31.66 71.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.336 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.53 -42.71 99.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.237 174.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.64 -48.6 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.788 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 2.7 pp -68.96 -21.51 64.18 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.022 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.524 ' N ' HD12 ' A' ' 69' ' ' LEU . 21.0 t-20 -51.73 -49.24 62.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.207 0.527 . . . . 0.0 109.753 175.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.4 mtm -66.09 -54.06 30.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.389 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 72' ' ' ARG . 30.5 mmt180 -67.23 -30.01 69.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.18 -176.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -61.71 -54.75 38.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.22 -42.8 82.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.672 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 24.9 p -73.61 -22.61 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 44' ' ' ILE . 79.9 p -68.93 -39.27 79.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.332 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.38 -28.7 64.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.124 174.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.9 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 75' ' ' SER . 7.6 mm-40 -54.74 -31.75 58.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.454 0.645 . . . . 0.0 111.033 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.0 mt -93.0 -47.02 13.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.341 -177.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.94 -16.79 63.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.176 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.54 -2.28 55.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 111.068 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t -121.02 87.91 2.84 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -88.09 93.81 9.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.645 0.736 . . . . 0.0 111.723 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.508 ' HG2' HE21 ' A' ' 37' ' ' GLN . 14.7 pt-20 -85.58 -22.41 28.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.199 172.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.21 -68.44 1.13 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.136 175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 134.59 -174.08 21.18 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.06 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.21 -97.97 0.64 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.519 ' HB3' ' OG1' ' A' ' 92' ' ' THR . 40.4 t -177.84 156.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.6 tp -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.72 -32.5 73.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.138 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 89' ' ' SER . 28.5 m -65.12 -43.67 91.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.51 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.2 mtmm -81.58 -23.79 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.132 -172.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 p -68.77 -38.65 80.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.4 m -68.35 -38.15 81.16 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.358 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 72.7 m -54.58 -49.48 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.589 177.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.581 HG22 ' SD ' ' A' ' 101' ' ' MET . 66.2 mt -60.5 -49.51 84.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.59 -33.53 75.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.684 -176.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.7 t -68.48 -40.42 80.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.47 -36.87 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.669 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.581 ' SD ' HG22 ' A' ' 97' ' ' ILE . 28.4 mtp -66.07 -48.6 70.46 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.686 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.95 -46.71 88.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.4 t30 -62.11 -36.6 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.112 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.92 98.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.228 . . . . 0.0 110.956 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 31.9 m-85 -58.2 -44.1 87.94 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.277 0.56 . . . . 0.0 110.094 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.53 -32.47 74.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.532 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 29.5 mm-40 -73.7 -33.52 64.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.2 p -96.28 -70.14 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 t -100.48 -17.95 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.745 -173.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.55 -15.13 62.17 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.883 176.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 5.2 t -115.25 139.82 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.2 t -100.97 138.46 25.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.195 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -84.51 110.64 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.5 tp60 -79.31 -51.47 1.25 Allowed Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 9.9 Cg_endo -50.7 -52.88 8.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 123.024 2.483 . . . . 0.0 114.448 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -74.34 -28.12 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.473 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.6 mt -64.73 -31.03 52.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.986 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -70.41 -18.05 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 22.1 mt-10 -96.48 -53.12 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -49.68 -47.42 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 O-C-N 123.336 0.397 . . . . 0.0 111.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -56.02 -48.69 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -68.74 -34.68 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.491 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.4 mt -66.91 -45.09 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 177.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 120' ' ' ILE . 97.6 t -53.45 -52.33 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.002 0.429 . . . . 0.0 110.111 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -57.92 -52.38 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.355 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -64.22 -47.56 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.727 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -67.94 -37.83 82.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.679 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -62.75 -43.55 98.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 111.448 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.72 -24.8 67.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.714 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.501 ' O ' HG11 ' A' ' 135' ' ' VAL . . . -81.6 -9.16 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.567 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -126.06 18.81 6.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.396 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 52.2 mtt -81.6 -38.6 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -163.7 118.61 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.1 t70 59.96 99.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 O-C-N 124.295 0.997 . . . . 0.0 113.059 169.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 130' ' ' ALA . 7.1 p -168.67 20.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 57.5 m 63.95 43.7 5.13 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.689 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.146 178.043 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -101.32 -62.45 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.054 0.454 . . . . 0.0 109.961 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.6 46.1 0.91 Allowed Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.89 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.31 -17.48 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.145 0.498 . . . . 0.0 110.108 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -70.99 -166.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.968 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -67.59 99.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -89.44 153.28 20.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.39 0.614 . . . . 0.0 111.381 -175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.512 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 6.4 m -153.64 141.93 14.11 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.8 Cg_endo -56.0 -15.59 14.14 Favored 'Trans proline' 0 N--CA 1.476 0.466 0 C-N-CA 123.31 2.673 . . . . 0.0 113.721 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.536 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 8.7 m95 -100.49 3.4 42.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.592 0.234 . . . . 0.0 110.833 -176.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -67.25 -24.26 65.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.139 0.495 . . . . 0.0 110.735 -176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.483 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.5 t30 -140.98 131.72 13.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.054 177.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 19.0 Cg_endo -63.26 -31.32 74.05 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.441 2.761 . . . . 0.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.77 88.12 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.27 -46.42 28.08 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.55 -40.64 83.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.196 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.39 -59.08 5.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.48 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -64.49 -35.77 82.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -60.42 -48.8 80.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.717 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.0 mmt -64.67 -33.17 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 111.043 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -65.91 -54.53 25.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.813 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.7 m -64.05 -31.7 72.99 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.773 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.31 -53.25 59.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.395 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 2.5 mmt -64.38 -38.08 89.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -56.78 -43.88 81.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.277 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.69 -35.97 38.94 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.827 178.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.83 -32.83 74.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.611 0.243 . . . . 0.0 110.836 -176.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.3 p -72.94 -4.13 30.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.736 0.303 . . . . 0.0 111.744 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -113.56 7.42 17.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.283 0.564 . . . . 0.0 109.842 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.598 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.1 mmt -93.0 145.0 29.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.336 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.26 130.81 9.36 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.822 2.348 . . . . 0.0 111.629 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 133.99 -41.03 1.51 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.648 176.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.87 -171.01 1.82 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 111.523 -175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 12.1 t -152.89 169.98 21.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.36 68.24 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.257 0.348 . . . . 0.0 111.48 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 t -61.77 -43.47 98.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.79 -31.67 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.987 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 34' ' ' THR . 95.2 mt -68.17 -39.56 82.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.693 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.95 -47.8 79.83 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.343 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -67.69 -39.96 84.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.051 178.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.9 ttm -61.7 -43.02 99.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 39.2 t -61.07 -42.54 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.341 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -61.61 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.243 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ASP . 46.8 mm -64.94 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.67 -36.34 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.665 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' SER . 29.2 mm-40 -64.4 -41.74 96.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.1 p -67.62 -25.2 65.63 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.555 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 52' ' ' ILE . 53.8 mtp -75.09 -50.85 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.235 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 57.9 t -60.41 -44.64 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -65.88 -27.09 67.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.797 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.7 m -76.45 -37.1 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.231 0.538 . . . . 0.0 110.135 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 48' ' ' MET . 62.9 mt -71.97 -29.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.317 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.0 mm-40 -54.49 -41.37 69.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.149 0.499 . . . . 0.0 109.911 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -73.02 -38.26 66.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.532 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.14 -42.59 91.03 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.563 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.895 -177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.07 -33.12 26.48 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.721 0.772 . . . . 0.0 108.943 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -83.63 -13.35 54.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.799 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.39 41.32 96.56 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -124.06 23.9 8.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 0.0 111.086 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.9 58.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.559 0.695 . . . . 0.0 110.726 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.9 t -80.76 146.95 61.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.692 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.2 -24.59 11.68 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.167 2.578 . . . . 0.0 113.041 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.5 t-20 -68.68 -24.29 64.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.935 0.397 . . . . 0.0 111.389 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.2 mptt -81.77 -33.96 30.65 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 7.0 mp -77.7 -27.26 50.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.07 -174.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 64' ' ' ASN . 5.2 pp0? -66.13 -33.4 75.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.371 0.605 . . . . 0.0 109.878 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.74 63.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.116 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.6 mt -74.14 -3.45 29.77 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.962 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -88.81 -61.09 1.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.0 mtm -62.52 -50.27 72.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.605 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -32.97 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.336 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -59.99 -44.28 94.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.209 0.528 . . . . 0.0 109.837 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.388 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.9 p -71.14 -36.81 72.21 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -175.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.9 m -63.52 -38.09 89.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.851 0.357 . . . . 0.0 110.938 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -71.4 -32.88 68.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.852 0.358 . . . . 0.0 110.19 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.56 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.016 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 75' ' ' SER . 43.6 mt-10 -61.0 -40.07 92.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.32 0.581 . . . . 0.0 110.586 177.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.24 -44.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.77 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.29 67.85 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.328 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HA ' ' CE ' ' A' ' 132' ' ' MET . . . -61.93 -18.18 59.41 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.612 0.57 . . . . 0.0 111.621 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -81.6 82.65 7.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 170.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.505 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 14.5 pt-20 -62.04 -7.43 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.483 -168.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.52 153.92 29.2 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.53 -93.8 0.16 Allowed Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.845 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.45 30.51 0.86 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.971 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.28 160.21 9.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.248 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 m -78.71 177.64 8.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.884 0.373 . . . . 0.0 111.367 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' THR . 56.9 tp -56.31 -38.18 70.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.656 -178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 p -56.33 -35.44 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.871 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 m -82.76 -37.15 25.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.445 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' NZ ' ' HA ' ' A' ' 84' ' ' GLU . 43.8 mttt -59.57 -56.96 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.879 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.5 t -57.68 -39.39 77.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 111.836 -173.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.7 m -68.11 -34.26 76.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.906 0.384 . . . . 0.0 110.957 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.598 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 66.2 m -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.6 HG22 ' SD ' ' A' ' 101' ' ' MET . 69.6 mt -58.71 -50.21 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 0.0 110.013 176.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -60.7 -40.05 90.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.635 -178.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -63.27 -39.45 94.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.168 0.509 . . . . 0.0 110.043 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.18 -34.73 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.652 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.6 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.5 mtp -63.63 -46.44 85.67 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.112 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 m -58.69 -49.71 76.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.338 0.59 . . . . 0.0 110.047 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.1 t30 -61.22 -41.78 97.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.507 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.38 93.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.5 -31.06 69.08 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.535 0.684 . . . . 0.0 109.382 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.63 -24.9 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.046 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.8 mm-40 -96.49 -15.87 21.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.559 -177.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -93.14 -58.97 2.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.982 0.42 . . . . 0.0 111.481 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -109.72 -11.66 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.28 61.96 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.074 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.07 157.1 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.18 126.1 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.512 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 20.7 t-20 -107.49 123.79 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.488 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 28.3 tp60 -82.24 -56.96 0.51 Allowed Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.512 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 25.3 Cg_exo -61.1 -30.89 90.01 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.185 1.923 . . . . 0.0 113.995 -167.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -68.14 -30.13 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 0.0 110.069 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.4 mt -73.55 -33.05 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.995 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.05 -46.44 84.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.382 176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' O ' HD13 ' A' ' 123' ' ' LEU . 47.5 mt-10 -58.95 -52.45 65.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.045 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -54.49 -53.59 29.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.627 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 4.6 p -59.33 -44.79 92.59 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -173.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -64.86 -32.72 74.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.996 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.2 mp -77.94 -37.34 47.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.316 178.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.7 t -52.67 -61.74 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.78 0.8 . . . . 0.0 110.026 175.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 75.4 m -57.88 -37.19 73.51 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.858 -177.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.6 ttp -72.51 -50.47 25.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.691 0.281 . . . . 0.0 111.398 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -69.35 -24.97 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.71 0.291 . . . . 0.0 111.5 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.476 0.655 . . . . 0.0 110.888 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 125' ' ' SER . 76.6 mm-40 -67.84 -21.45 65.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.037 -177.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.39 6.98 12.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -128.53 -2.39 5.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.111 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 82' ' ' ALA . 77.4 mtm -130.35 -65.1 0.82 Allowed 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.917 0.389 . . . . 0.0 111.604 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -69.09 169.84 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.882 -172.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.31 32.54 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.109 0.957 . . . . 0.0 111.039 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -112.98 9.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 122.124 0.964 . . . . 0.0 108.587 173.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.0 m -76.36 80.85 3.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.545 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.589 179.017 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.985 -0.446 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -67.63 -36.99 81.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.84 60.19 2.06 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.767 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -74.93 -40.9 60.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.218 0.533 . . . . 0.0 109.78 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -144.79 79.08 1.59 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.888 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -156.65 114.86 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.2 t -104.97 125.7 51.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.58 0.705 . . . . 0.0 110.684 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.444 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.2 m -153.33 139.0 11.94 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 20.3 Cg_endo -61.41 -17.67 54.79 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.839 2.359 . . . . 0.0 112.314 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -89.85 3.95 51.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.947 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -71.74 -27.18 62.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.036 0.445 . . . . 0.0 110.669 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.445 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 9.4 t30 -137.26 129.69 16.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.934 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 10.7 Cg_endo -59.53 -30.33 92.18 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 123.254 2.636 . . . . 0.0 111.825 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.44 -39.98 94.27 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 tp -70.86 -39.09 73.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.686 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.34 -52.09 66.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.425 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.47 -46.56 88.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.653 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.532 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.2 m-20 -56.74 -44.22 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HA ' HG21 ' A' ' 108' ' ' THR . 50.8 t80 -59.92 -48.46 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.686 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 14.1 mmm -68.0 -39.06 83.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.294 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -59.93 -47.47 85.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.9 t -68.19 -29.47 68.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.569 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 86.8 t80 -59.03 -49.6 77.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 46.0 mmm -63.95 -36.34 83.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.768 -176.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.18 -31.24 71.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.42 -25.43 30.75 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.019 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -77.69 -23.59 49.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.533 0.206 . . . . 0.0 111.243 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 p -67.83 -13.99 62.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.249 0.547 . . . . 0.0 110.986 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -93.83 0.5 56.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.998 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.439 ' CG ' ' HB2' ' A' ' 96' ' ' SER . 20.5 mmt -100.54 120.93 54.74 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.671 -176.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.21 2.18 7.02 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.11 2.54 . . . . 0.0 113.05 -177.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.43 -18.57 73.47 Favored Glycine 0 C--N 1.309 -0.948 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.575 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -126.98 175.26 8.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.093 0.473 . . . . 0.0 111.067 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.462 HG22 ' HG3' ' A' ' 37' ' ' GLN . 7.2 t -125.89 168.73 13.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.604 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.43 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.508 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -66.92 -44.21 81.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.47 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 34' ' ' THR . 3.5 mm-40 -60.27 -41.1 92.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.372 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -37.86 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -50.13 73.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.239 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.9 m-20 -64.77 -46.15 83.35 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.507 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.459 ' SD ' ' HE2' ' A' ' 23' ' ' PHE . 46.6 ttm -58.83 -44.12 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.611 -175.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 8.2 t -61.27 -45.36 94.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.971 0.415 . . . . 0.0 110.084 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.7 m -65.87 -43.22 88.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.344 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 40' ' ' ASP . 50.9 mm -64.73 -40.25 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.25 0.547 . . . . 0.0 110.137 178.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 48' ' ' MET . . . -57.7 -39.71 77.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.731 176.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 42' ' ' SER . 13.3 mm-40 -68.62 -25.06 64.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.721 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -64.09 -43.75 94.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.594 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 4.7 ppp? -75.93 -26.74 57.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.844 0.354 . . . . 0.0 110.132 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 45' ' ' ALA . 80.9 t -65.79 -42.35 92.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.438 . . . . 0.0 110.379 174.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 13.9 mm100 -68.73 -16.12 63.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -75.36 -42.69 53.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.2 mt -65.76 -29.61 47.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CG ' ' HA ' ' A' ' 50' ' ' GLN . 82.6 mm-40 -49.18 -51.19 34.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 176.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.4 m -79.09 -36.48 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.459 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.7 -52.26 65.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.629 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.54 -11.64 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.213 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.88 -29.92 13.43 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.087 0.47 . . . . 0.0 109.862 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -89.96 -11.65 41.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 37.87 40.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.614 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -108.86 12.77 25.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -69.64 95.16 0.84 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.766 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -108.52 150.88 41.24 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.279 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.0 -40.67 58.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.124 2.549 . . . . 0.0 112.496 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -55.77 -43.33 76.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 32.1 mttt -70.21 -41.48 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.506 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.68 -36.67 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.728 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -64.22 -34.3 77.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.503 . . . . 0.0 110.09 175.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 72' ' ' ARG . . . -72.56 -45.85 57.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.63 178.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.9 mt -58.2 -32.2 68.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.2 t-20 -53.69 -53.27 54.38 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.526 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 71.9 mtm -74.6 -41.54 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.201 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 7.3 mmm180 -61.87 -41.75 98.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.586 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -58.5 -52.29 66.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.171 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.82 72.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.357 . . . . 0.0 111.666 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.9 p -73.15 -20.74 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 86.7 p -68.79 -41.72 78.36 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.061 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -71.12 -30.68 66.81 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.74 95.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.218 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -53.15 -43.38 66.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.334 0.588 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 82.1 mt -78.7 -46.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.256 -176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.9 -21.57 66.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.68 65.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -85.29 89.29 7.62 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.76 -23.8 13.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.915 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.16 -23.3 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.23 -4.94 70.05 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.404 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.1 50.36 0.01 OUTLIER Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.696 -1.24 . . . . 0.0 113.526 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.65 -98.21 0.24 Allowed Glycine 0 CA--C 1.519 0.326 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 t -76.3 160.32 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.282 0.563 . . . . 0.0 112.23 -171.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.4 tp -99.47 -36.55 9.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.995 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -67.63 -30.82 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -66.96 -30.1 70.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.208 0.527 . . . . 0.0 110.082 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 97' ' ' ILE . 52.1 mttp -73.14 -50.07 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.34 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.504 HG21 ' OG ' ' A' ' 125' ' ' SER . 20.2 p -62.12 -36.93 83.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.55 -177.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 m -67.2 -42.39 84.23 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.28 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' A' ' 30' ' ' MET . 8.0 p -72.46 -34.28 67.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.175 -176.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 101' ' ' MET . 73.3 mt -55.52 -49.74 71.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.152 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.16 90.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.553 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -67.97 -42.75 80.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.14 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 97' ' ' ILE . 3.4 ttp -67.69 -42.76 81.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.316 -176.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -61.99 -46.65 88.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.307 0.575 . . . . 0.0 109.924 176.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.588 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.9 t30 -58.98 -38.81 79.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.944 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -67.58 -26.97 66.54 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.468 0.652 . . . . 0.0 109.494 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 37.4 mt -69.36 -28.98 66.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.623 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.6 mm-40 -92.72 -12.91 30.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 111.191 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 18' ' ' ASN . 10.5 p -99.68 -39.43 8.27 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -143.28 3.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.616 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.94 28.66 71.54 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.487 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -131.29 157.27 43.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.6 t -113.67 107.19 22.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.035 173.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.9 t-20 -87.3 81.02 8.03 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.404 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.2 tp60 -59.67 -47.05 98.45 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.212 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.3 Cg_exo -45.16 -51.04 8.2 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.671 2.247 . . . . 0.0 113.678 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.01 -35.82 72.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.717 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 113' ' ' ASN . 17.5 mt -62.95 -35.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.2 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.615 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 78.2 m-20 -62.68 -47.2 84.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.388 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 39.7 mt-10 -62.71 -53.99 46.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.809 -177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -56.54 -49.06 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.012 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.5 p -59.62 -38.18 80.62 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 27.3 mm-40 -66.74 -39.31 87.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 109.942 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 79.8 mt -70.41 -37.87 74.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.998 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 120' ' ' ILE . 47.9 t -52.46 -61.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.045 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.504 ' OG ' HG21 ' A' ' 94' ' ' THR . 29.0 m -54.07 -45.66 71.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.07 -51.59 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -66.3 -32.6 74.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.82 63.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.771 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -65.88 -34.93 79.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.383 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.9 -11.21 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.44 -17.83 27.8 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 65.2 mtt -86.29 -60.34 2.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.169 -0.515 . . . . 0.0 109.985 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -104.22 145.81 29.68 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.584 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.97 88.09 3.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.562 0.696 . . . . 0.0 110.654 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 p -100.77 7.06 9.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-O 122.06 0.933 . . . . 0.0 109.746 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 t -110.53 19.05 19.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.455 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.2 -179.641 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -84.79 111.44 19.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.146 0.498 . . . . 0.0 110.824 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.64 26.98 10.98 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.791 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.72 -49.82 64.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.648 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -75.86 -48.06 22.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.025 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.9 p80 46.46 27.16 0.58 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.08 0.952 . . . . 0.0 112.894 177.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 m -119.86 93.05 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.343 0.592 . . . . 0.0 111.396 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.57 163.42 17.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.257 171.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.4 -14.94 42.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 121.628 1.552 . . . . 0.0 111.726 174.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -102.69 10.98 38.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.0 t -60.09 -40.19 88.72 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.219 0.533 . . . . 0.0 111.402 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -132.49 143.66 49.72 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.748 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -57.42 -43.27 53.23 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.127 2.551 . . . . 0.0 112.133 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -39.8 93.52 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.877 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -57.9 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.48 -46.87 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.049 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 42.6 tt0 -57.48 -40.93 79.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -77.33 -28.99 53.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -62.44 -58.68 6.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.616 ' HE1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -73.86 -21.31 60.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.896 -177.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -59.94 -58.51 8.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 172.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 p -66.97 -30.54 70.69 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.517 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.556 ' HB3' ' HA ' ' A' ' 20' ' ' MET . 67.8 t80 -54.45 -52.13 62.81 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.307 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.064 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.01 -33.33 75.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.582 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -85.73 -35.21 11.86 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.029 175.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -61.51 -37.07 82.36 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.233 0.613 . . . . 0.0 110.192 -179.113 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 38' ' ' LEU . 5.6 p -71.66 -12.59 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.229 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -100.62 -0.27 37.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.048 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.6 mmt -92.94 133.2 29.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.908 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -70.29 115.47 4.18 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.397 2.065 . . . . 0.0 111.757 174.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.85 -53.51 0.49 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.991 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 54.0 m-85 -83.78 131.84 34.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.372 0.606 . . . . 0.0 112.32 -175.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.536 HG21 ' HA3' ' A' ' 86' ' ' GLY . 1.5 t -84.53 158.6 20.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.569 173.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.38 70.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.707 0.289 . . . . 0.0 111.528 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -66.11 -35.16 79.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.472 HE22 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -76.27 -42.45 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 109.614 175.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 28' ' ' SER . 8.6 tp -57.25 -42.88 82.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.11 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.77 -43.82 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.332 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -68.74 -44.58 73.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.759 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -58.75 -40.58 84.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.978 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -62.62 -36.59 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.416 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -76.59 -38.8 54.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 40' ' ' ASP . 49.3 mm -64.55 -38.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.046 0.45 . . . . 0.0 110.228 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.5 -32.07 64.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.177 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -64.74 -32.62 74.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 m -64.84 -40.97 96.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.616 ' HB3' ' HE1' ' A' ' 20' ' ' MET . 48.6 tpp -65.63 -45.34 83.44 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.249 178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.7 t -55.56 -50.55 65.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.28 -36.93 78.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.535 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 39.0 m -64.91 -44.61 89.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.182 0.515 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.37 -34.67 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.162 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.19 -45.89 83.34 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 174.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.4 m -67.6 -37.86 83.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.97 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 51' ' ' SER . 64.4 mt -59.07 -45.25 91.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.755 0.312 . . . . 0.0 111.499 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.32 -23.7 43.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.914 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.95 -30.32 18.89 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.419 0.628 . . . . 0.0 109.479 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.548 ' HB3' HH11 ' A' ' 60' ' ' ARG . 27.3 mt-30 -94.94 -6.58 42.18 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.77 50.04 67.55 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.948 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.548 HH11 ' HB3' ' A' ' 58' ' ' GLN . 74.7 mtt85 -128.12 16.36 6.72 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 111.559 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -72.95 111.31 7.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.151 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 65' ' ' LYS . 7.8 m -128.66 153.24 79.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.826 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.63 -41.39 74.27 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.139 2.559 . . . . 0.0 113.015 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -65.45 -35.99 82.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.086 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 24.3 mttp -64.19 -46.45 83.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.195 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.9 mt -69.0 -34.58 75.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.909 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -62.85 -41.97 99.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.18 -32.18 68.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 68.7 mt -63.06 -31.86 73.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 177.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' A' ' 119' ' ' GLU . 31.9 t-20 -55.21 -58.65 6.84 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.1 mtm -62.91 -43.05 99.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.153 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.51 -45.24 94.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.2 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.54 -47.07 86.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 123' ' ' LEU . . . -62.06 -55.24 31.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.579 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 127' ' ' PHE . 16.1 p -61.44 -42.11 98.25 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.7 p -62.24 -39.59 93.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.651 0.262 . . . . 0.0 111.145 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.7 mtm -71.22 -37.65 72.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.006 0.431 . . . . 0.0 110.183 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.07 92.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.498 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 75' ' ' SER . 50.2 mt-10 -56.0 -44.86 79.03 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.026 0.441 . . . . 0.0 110.934 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -62.9 -49.86 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -28.24 69.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.585 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.71 -25.1 30.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.3 t -54.89 -61.22 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.359 0.599 . . . . 0.0 111.824 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' HB2' HE22 ' A' ' 37' ' ' GLN . 42.3 mt-10 -143.84 176.5 9.21 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.219 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.43 -60.26 1.7 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 111.41 -179.316 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.536 ' HA3' HG21 ' A' ' 34' ' ' THR . . . 64.7 32.66 84.93 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.279 -176.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.65 -29.24 5.93 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.998 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.92 135.64 6.84 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.517 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 24.2 t -76.27 172.66 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 111.09 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -35.59 80.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -174.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.6 m -52.19 -31.33 31.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.588 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.3 m -91.0 -33.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.031 0.443 . . . . 0.0 110.78 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 33.4 mtmm -75.9 -31.66 59.29 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -63.58 -24.88 67.99 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 111.321 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -87.71 -38.11 16.11 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.766 0.317 . . . . 0.0 111.312 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -64.5 -32.7 74.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.703 -176.409 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.522 HG22 ' SD ' ' A' ' 101' ' ' MET . 71.8 mt -59.05 -52.79 56.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.476 176.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.04 72.21 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.554 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -71.29 -40.31 70.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.46 74.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.768 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.522 ' SD ' HG22 ' A' ' 97' ' ' ILE . 29.3 mtp -63.87 -41.73 97.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.0 m -61.14 -44.85 96.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.479 0.656 . . . . 0.0 110.024 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.654 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -68.21 -35.01 77.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.704 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.95 72.14 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 3.4 t80 -65.83 -30.96 71.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.685 0.755 . . . . 0.0 109.463 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.51 ' O ' ' HA2' ' A' ' 110' ' ' GLY . 9.7 tp -63.63 -22.74 67.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.131 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 58.2 mm-40 -96.89 -28.2 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.687 0.279 . . . . 0.0 111.375 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 p -81.63 -54.15 5.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.015 0.436 . . . . 0.0 111.678 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -115.46 -7.88 12.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 106' ' ' LEU . . . 80.59 15.26 78.41 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.758 176.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.6 t -128.41 155.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.7 t -107.1 114.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.445 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 18.1 t-20 -90.12 90.34 8.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.638 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 22.2 tp60 -65.48 -45.61 68.85 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.491 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 1.3 Cg_endo -44.82 -47.33 11.84 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 123.335 2.69 . . . . 0.0 113.843 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.417 ' HB2' ' OD1' ' A' ' 113' ' ' ASN . 7.3 t80 -71.95 -33.95 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.055 0.455 . . . . 0.0 110.457 -173.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.18 -35.06 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.688 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 24.1 m-80 -61.89 -31.37 71.66 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.425 ' O ' HD22 ' A' ' 123' ' ' LEU . 45.9 mt-10 -75.95 -54.06 7.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -177.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -51.9 -45.64 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.652 0.241 . . . . 0.0 111.652 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -57.03 -33.51 67.27 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 12.2 mm100 -67.96 -45.55 73.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 74' ' ' ALA . 1.3 mm? -72.04 -30.17 64.91 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.706 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 120' ' ' ILE . 99.3 t -60.29 -55.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.182 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.1 t -58.17 -39.38 78.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.527 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.9 mtp -66.05 -66.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.916 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 42.7 m-85 -67.11 -27.23 67.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.246 -170.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.1 -58.62 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.153 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.55 -29.14 69.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.259 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.35 -8.51 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 111.224 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -103.37 -3.69 47.32 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.0 mtt -99.29 -78.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.256 0.551 . . . . 0.0 110.505 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -174.91 -171.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.819 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.7 t70 63.0 27.86 16.06 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.931 0.872 . . . . 0.0 110.042 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.4 p -94.82 -14.61 7.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.292 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.6 m -91.42 84.25 5.54 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.969 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.789 179.605 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 m -112.76 25.38 11.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.899 0.381 . . . . 0.0 110.748 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.42 79.0 1.1 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -139.49 19.05 2.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.994 0.426 . . . . 0.0 110.403 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -114.94 120.31 39.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.261 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -76.51 119.71 20.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -133.12 176.19 8.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 111.999 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m -108.23 141.79 23.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.228 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 14.5 Cg_endo -56.27 -23.57 46.54 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.293 2.662 . . . . 0.0 113.676 -176.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.466 ' HB2' HD22 ' A' ' 66' ' ' LEU . 6.8 m95 -94.88 14.97 19.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.354 -0.216 . . . . 0.0 111.404 -173.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -69.92 -44.02 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 111.665 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -130.84 144.46 53.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.573 0.225 . . . . 0.0 110.869 -175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 56' ' ' ALA . 51.8 Cg_exo -57.3 -35.46 98.88 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.033 2.489 . . . . 0.0 111.475 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.95 8.76 13.91 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.39 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.93 -57.76 1.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -44.34 -55.47 4.93 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.53 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' HG11 ' A' ' 49' ' ' VAL . 10.0 tp10 -68.21 -44.68 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.907 0.384 . . . . 0.0 111.221 -175.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.16 -36.23 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.759 0.314 . . . . 0.0 110.752 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -57.54 -46.51 83.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.897 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 24.5 mmt -64.79 -38.89 92.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.093 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.604 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 11.6 m-80 -62.49 -53.12 59.51 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -65.5 -33.08 75.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.847 0.355 . . . . 0.0 110.784 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 20' ' ' MET . 53.0 t80 -55.13 -55.63 28.96 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.398 174.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.05 -31.06 70.45 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.523 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.604 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 53.7 mt-30 -60.98 -41.78 97.08 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.241 0.543 . . . . 0.0 110.149 175.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -76.74 -40.4 26.58 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.842 177.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.74 -38.98 93.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.494 0.188 . . . . 0.0 111.459 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 p -67.44 -12.88 61.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.095 0.474 . . . . 0.0 111.092 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 m -100.31 -0.36 38.58 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.373 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 19.6 mmt -94.85 127.27 43.85 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.69 120.69 7.07 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.248 1.965 . . . . 0.0 111.585 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.19 -31.74 0.72 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.642 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -102.39 -169.14 1.63 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 38' ' ' LEU . 15.3 t -148.05 169.23 20.4 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -38.85 71.79 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -176.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -63.16 -43.39 98.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.241 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 80' ' ' ILE . 2.3 mp0 -66.82 -42.17 86.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 34' ' ' THR . 7.3 mp -58.99 -44.7 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.755 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.08 -52.82 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.538 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.563 ' O ' HG12 ' A' ' 44' ' ' ILE . 18.4 m-20 -66.32 -46.48 76.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.699 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 77' ' ' MET . 52.6 tpp -58.24 -41.41 84.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.988 0.423 . . . . 0.0 110.95 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.1 t -67.34 -38.94 85.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.196 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.4 m -69.72 -41.19 75.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.961 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 40' ' ' ASP . 48.8 mm -63.7 -31.4 52.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.454 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.06 -64.19 0.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.431 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 2.5 mp0 -51.4 -36.77 44.98 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.657 174.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.28 -40.28 93.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.591 0.234 . . . . 0.0 111.187 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 3.9 ppp? -80.72 -29.49 36.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 45' ' ' ALA . 83.3 t -67.5 -26.19 35.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.724 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 79.2 mm-40 -58.39 -36.2 73.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.354 178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 p -78.92 -22.55 45.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 49' ' ' VAL . 11.5 mm -68.15 -40.42 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.405 HE21 HG12 ' A' ' 49' ' ' VAL . 79.5 mm-40 -50.12 -48.9 53.28 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 m -73.64 -36.24 65.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.931 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.02 -48.73 79.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.65 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . . . -82.71 -6.15 59.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.584 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.97 -33.59 14.79 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -80.64 -24.09 39.25 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.72 43.5 28.58 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.573 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 97.3 mtt180 -118.0 11.41 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.718 0.294 . . . . 0.0 111.762 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 p -69.49 105.34 2.59 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.249 0.547 . . . . 0.0 111.499 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.583 ' OG ' ' HG3' ' A' ' 65' ' ' LYS . 37.6 p -121.86 156.12 59.64 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.041 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 67' ' ' GLN . 47.1 Cg_exo -56.53 -33.35 92.52 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.377 2.051 . . . . 0.0 111.657 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -61.86 -47.23 85.95 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.189 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.583 ' HG3' ' OG ' ' A' ' 62' ' ' SER . 32.2 mttm -65.03 -52.13 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.213 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 62' ' ' SER . 39.8 mt -65.45 -25.8 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' PRO . 1.0 OUTLIER -53.93 -44.11 70.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.267 175.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.168 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.16 -28.98 69.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.63 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.293 0.568 . . . . 0.0 110.682 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.2 mtm -69.49 -40.87 76.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -56.33 -46.28 79.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.599 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.97 -46.27 89.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.231 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB2' HG13 ' A' ' 120' ' ' ILE . . . -63.47 -48.07 79.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.057 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 13.5 p -73.21 -35.17 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.431 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 12.1 p -63.52 -39.62 94.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.429 ' HG2' ' SD ' ' A' ' 41' ' ' MET . 69.8 mtm -66.19 -37.89 86.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.184 175.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.32 89.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.599 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 75' ' ' SER . 42.5 mt-10 -58.79 -37.79 77.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.279 0.562 . . . . 0.0 110.551 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 37' ' ' GLN . 94.0 mt -80.52 -45.9 21.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.972 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.86 -14.0 62.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.961 -176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.61 -22.16 66.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.006 0.432 . . . . 0.0 111.209 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.2 t -83.21 86.36 7.05 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.941 0.877 . . . . 0.0 109.512 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.17 -11.26 60.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.607 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.13 -52.44 43.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.662 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 34' ' ' THR . . . -87.27 96.9 2.22 Favored Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.134 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.14 -127.32 8.17 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.126 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.06 -166.79 14.26 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.307 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.93 159.59 22.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.04 0.448 . . . . 0.0 111.853 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 93' ' ' LYS . 2.8 tm? -65.34 -34.38 78.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -54.89 -33.84 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.217 174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -76.43 -44.17 36.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.003 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HB2' HD22 ' A' ' 90' ' ' LEU . 58.2 mttp -61.42 -53.95 49.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.087 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.8 t -58.59 -38.63 78.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.8 m -66.5 -34.44 77.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.123 0.487 . . . . 0.0 110.55 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 51.0 m -67.14 -40.96 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.696 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.576 HG22 ' SD ' ' A' ' 101' ' ' MET . 70.6 mt -58.3 -49.49 81.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.08 87.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.933 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.2 t -71.26 -35.37 71.37 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.54 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.578 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.576 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.2 mtp -68.22 -44.77 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.78 178.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.2 t -60.49 -47.6 85.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.883 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.6 t30 -61.28 -34.09 74.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.278 177.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.5 -47.43 70.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.525 0.202 . . . . 0.0 111.451 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.15 -37.41 77.21 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.282 0.563 . . . . 0.0 110.202 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.68 -27.34 67.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.337 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -93.79 -32.98 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.125 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 p -85.56 -39.36 17.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.646 -173.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.9 p -116.61 -32.3 5.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -175.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.54 -6.61 68.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.0 t -122.24 148.22 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 58.6 t -88.15 105.22 15.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.707 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -81.08 94.07 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.394 0.616 . . . . 0.0 109.555 177.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -75.36 -47.99 4.23 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -44.74 -48.8 10.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 122.781 2.321 . . . . 0.0 114.163 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.479 ' O ' HD13 ' A' ' 120' ' ' ILE . 90.8 m-85 -71.99 -26.51 62.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.871 -174.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 mt -67.68 -35.16 71.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.022 0.439 . . . . 0.0 110.398 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.18 -30.96 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.77 -52.05 19.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.817 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -58.97 -49.09 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.1 p -54.32 -48.44 71.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -173.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -63.19 -37.09 85.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.42 -42.8 67.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.585 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.4 t -55.59 -55.97 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.671 0.272 . . . . 0.0 110.764 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 t -57.96 -46.11 85.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.778 -177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.08 -52.37 49.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.545 -177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.436 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 25.1 m-85 -67.47 -31.0 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.585 -176.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -68.99 -52.13 32.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.738 0.304 . . . . 0.0 111.007 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.06 -34.12 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.333 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.5 -11.88 60.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 0.0 111.148 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -105.42 2.69 39.85 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 66.5 mtt -92.0 -78.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.122 0.487 . . . . 0.0 110.661 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -80.14 -58.61 3.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.537 -175.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -170.97 166.64 7.47 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.586 -1.188 . . . . 0.0 107.907 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.0 p -82.64 7.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.933 0.873 . . . . 0.0 110.586 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.2 m -83.26 48.63 1.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.605 178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.591 -0.719 . . . . 0.0 110.691 -178.556 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.449 ' HB2' ' OD1' ' A' ' 4' ' ' ASN . 8.8 p -73.46 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.017 0.437 . . . . 0.0 110.22 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.44 22.68 72.45 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.645 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' OD1' ' HB2' ' A' ' 2' ' ' SER . 14.9 m120 -85.22 -42.0 15.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.97 0.414 . . . . 0.0 110.106 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -160.53 -167.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.375 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.86 178.34 5.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 111.188 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -76.45 99.36 4.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.237 0.542 . . . . 0.0 112.242 -174.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 3.3 m -149.02 139.91 13.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 12.3 Cg_endo -55.28 -26.08 50.36 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 122.715 2.277 . . . . 0.0 113.44 -175.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.451 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 5.8 m95 -111.29 17.11 20.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.448 -174.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 8' ' ' THR . 4.6 t -77.22 -30.08 54.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.971 0.415 . . . . 0.0 111.331 -174.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -131.72 138.47 32.65 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.641 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . 60.0 Cg_exo -53.65 -49.65 16.52 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.009 2.473 . . . . 0.0 111.705 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.07 74.29 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.658 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.0 tp -71.24 -46.47 60.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.58 94.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 110.036 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.63 -50.51 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.766 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.523 ' HB3' HG22 ' A' ' 108' ' ' THR . 19.4 m-80 -70.18 -35.94 74.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.28 -51.94 67.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.62 -38.34 90.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.169 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.05 -60.65 2.87 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.856 0.36 . . . . 0.0 111.137 174.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 m -66.5 -33.46 75.74 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.249 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 86.6 t80 -60.42 -53.7 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.752 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.498 ' CE ' ' HA ' ' A' ' 24' ' ' MET . 2.2 mmt -66.83 -41.21 87.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.191 -178.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.35 -29.99 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.81 0.338 . . . . 0.0 111.335 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -84.17 -38.92 9.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.049 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -62.88 -35.64 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.962 0.505 . . . . 0.0 110.926 -177.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -65.97 -19.33 65.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.016 0.436 . . . . 0.0 111.621 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 m -99.9 3.68 44.64 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.384 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.1 mmt -98.12 136.92 20.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.781 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.61 141.41 31.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.359 2.039 . . . . 0.0 111.635 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.5 -28.65 3.1 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.809 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.57 -168.88 1.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.037 0.446 . . . . 0.0 111.689 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.591 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 14.7 t -152.4 175.07 13.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.133 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.02 77.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.553 -176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 t -62.96 -40.59 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.468 . . . . 0.0 110.388 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.8 mp0 -75.22 -34.19 61.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 34' ' ' THR . 85.8 mt -66.79 -34.75 78.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.011 0.434 . . . . 0.0 110.304 177.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.55 -39.86 94.98 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.61 -44.56 70.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.471 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 25.9 mmt -47.43 -52.63 16.38 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.266 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 56.5 m -60.97 -37.52 82.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 48.9 m -68.78 -42.72 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.918 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.5 mm -63.86 -40.82 90.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.46 -44.73 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.12 175.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 42' ' ' SER . 30.7 mm-40 -60.85 -41.0 94.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 t -60.77 -44.1 97.2 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.592 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.2 ptm -85.15 -30.4 24.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.902 -176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 40.8 t -65.79 -41.49 90.34 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.595 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -60.51 -32.88 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.858 0.361 . . . . 0.0 111.072 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.3 m -65.94 -42.99 89.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.347 0.594 . . . . 0.0 109.857 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.0 mt -66.61 -35.88 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.864 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.8 mm100 -55.83 -46.13 78.21 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.137 0.494 . . . . 0.0 109.722 174.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -68.52 -43.44 76.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.18 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 51' ' ' SER . 65.5 mt -51.58 -53.72 35.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.06 9.05 13.47 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.43 -33.88 6.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.89 -32.35 23.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.391 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.74 38.76 5.43 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -120.48 22.26 11.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.202 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -78.44 76.06 4.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.456 0.646 . . . . 0.0 110.359 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -101.26 147.08 33.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.349 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.53 -29.77 33.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.893 2.395 . . . . 0.0 112.438 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.28 -39.77 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.743 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.56 -49.92 60.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.48 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -64.51 -25.09 67.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.727 -174.439 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.0 tt0 -63.19 -34.05 76.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.209 0.528 . . . . 0.0 110.283 173.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.6 -43.39 59.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.448 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.42 -36.75 71.76 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.444 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 23.4 t-20 -53.11 -52.64 58.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 0.0 110.855 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.2 mtm -68.57 -50.85 48.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.139 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.81 -41.45 91.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.768 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -59.37 -41.95 90.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.259 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.41 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.935 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 24.2 p -72.11 -33.91 68.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 p -67.77 -47.48 69.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.621 0.248 . . . . 0.0 110.595 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.447 ' SD ' HD13 ' A' ' 97' ' ' ILE . 22.2 ptp -64.6 -25.88 68.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -69.25 -38.36 78.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 75' ' ' SER . 45.8 mt-10 -63.6 -40.57 97.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.318 0.58 . . . . 0.0 110.061 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 37' ' ' GLN . 46.6 mt -68.6 -39.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.55 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.7 -22.98 63.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.166 0.507 . . . . 0.0 110.589 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.19 -0.96 24.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.388 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.1 t -91.47 100.83 13.53 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -37.14 -53.77 1.01 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.554 -1.657 . . . . 0.0 113.319 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.72 136.46 27.35 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.015 0.822 . . . . 0.0 112.587 -171.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.6 -125.47 6.15 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.336 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.57 -5.45 86.76 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.497 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.63 -79.35 1.67 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.356 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.5 t -55.95 136.74 51.67 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.365 0.603 . . . . 0.0 112.437 -171.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.7 tp -74.71 -28.84 60.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.494 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.5 m -67.07 -34.8 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -70.76 -41.37 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.236 0.541 . . . . 0.0 109.952 175.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -63.17 -45.49 91.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.8 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -63.47 -41.51 98.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.911 0.386 . . . . 0.0 111.542 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -71.86 -30.43 65.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 t -60.97 -55.39 33.49 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.026 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.447 HD13 ' SD ' ' A' ' 77' ' ' MET . 86.0 mt -59.14 -44.41 91.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.781 -176.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.68 -21.3 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -81.81 -34.49 30.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.33 -39.53 47.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.786 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.594 ' SD ' HG12 ' A' ' 117' ' ' ILE . 24.5 ttm -60.67 -50.32 73.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.521 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.425 ' O ' HD13 ' A' ' 106' ' ' LEU . 5.4 p -59.57 -47.26 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -62.06 -34.61 76.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.557 0.217 . . . . 0.0 111.14 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 44.3 m-85 -59.0 -40.67 85.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.511 0.672 . . . . 0.0 110.079 173.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 102' ' ' SER . 7.5 mp -65.86 -30.29 70.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.244 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 28.5 mm-40 -78.6 -22.92 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.636 0.255 . . . . 0.0 111.18 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.523 HG22 ' HB3' ' A' ' 18' ' ' ASN . 7.4 p -103.08 -57.92 1.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.887 0.375 . . . . 0.0 111.853 -172.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -106.04 -36.32 6.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.124 -172.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.57 -10.68 49.85 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.608 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 3.5 t -116.39 141.44 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.92 133.71 55.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.044 0.45 . . . . 0.0 111.03 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 117' ' ' ILE . 22.5 t-20 -96.44 103.82 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.967 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.621 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -74.66 -47.22 5.35 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.4 Cg_endo -46.51 -49.0 12.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.231 2.621 . . . . 0.0 114.233 -177.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -69.24 -35.34 76.05 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.617 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.594 HG12 ' SD ' ' A' ' 101' ' ' MET . 6.3 mt -63.52 -35.59 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.977 0.418 . . . . 0.0 110.341 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -61.73 -46.66 88.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.003 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 60.9 mt-10 -64.11 -48.32 76.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.779 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -56.87 -54.16 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.456 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.0 p -58.73 -39.81 81.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -67.39 -40.46 85.66 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.761 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 94.7 mt -66.65 -39.52 88.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.363 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 120' ' ' ILE . 58.0 t -56.99 -52.09 60.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 t -57.16 -38.69 73.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.159 -176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.4 ttp -79.03 -53.35 7.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.575 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.99 -29.93 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -61.22 -42.59 98.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.022 0.439 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -65.11 -29.37 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -94.07 6.45 48.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.066 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -120.76 0.95 12.16 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.44 -0.885 . . . . 0.0 112.673 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 62.9 mtt -81.71 -65.02 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.482 0.182 . . . . 0.0 111.092 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -170.3 176.67 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.301 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.5 t70 61.87 24.32 14.45 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.946 0.879 . . . . 0.0 110.665 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.9 p -113.42 -7.12 11.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.225 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 m -119.05 90.2 3.28 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.702 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.607 179.832 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m 68.8 3.76 4.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.042 0.537 . . . . 0.0 111.463 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.53 27.11 0.86 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -121.08 8.66 10.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.517 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -81.39 124.65 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 -177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -122.98 97.19 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.454 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -83.93 86.56 7.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.306 0.574 . . . . 0.0 111.212 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.8 m -121.79 137.88 27.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 30.3 Cg_endo -63.67 -19.76 67.9 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.904 2.402 . . . . 0.0 113.601 -174.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.436 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 5.8 m95 -97.89 17.03 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.325 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 p -75.99 -54.43 6.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.998 0.428 . . . . 0.0 111.264 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -115.78 135.43 22.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.58 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 51.5 Cg_exo -53.41 -43.04 60.88 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.968 2.445 . . . . 0.0 112.033 176.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.83 68.94 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.514 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.61 -44.09 24.78 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 122.493 -0.416 . . . . 0.0 110.03 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.61 84.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.834 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -63.29 -40.04 96.25 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.481 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.75 -37.66 70.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.864 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.369 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' HG2' ' A' ' 24' ' ' MET . 22.7 mmt -65.33 -40.31 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.471 -179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.557 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 14.1 m-20 -62.94 -48.44 78.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.763 0.316 . . . . 0.0 110.969 179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -64.68 -33.43 75.93 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 83.9 t80 -57.22 -52.51 65.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.489 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 52.3 mmm -61.79 -39.31 91.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.985 -177.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 90.2 mt-30 -60.28 -44.66 95.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.981 0.419 . . . . 0.0 110.624 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.0 -36.73 51.28 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.04 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 -178.415 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -73.83 -4.49 35.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 111.456 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -99.02 2.79 46.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 110.302 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.5 mmt -104.92 114.97 63.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.848 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.79 105.96 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.295 1.997 . . . . 0.0 112.461 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.61 -34.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.805 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 93' ' ' LYS . 73.1 m-85 -98.72 150.83 21.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.485 HG22 ' NE2' ' A' ' 37' ' ' GLN . 15.4 t -97.12 171.6 8.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.753 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.34 84.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -61.9 -31.42 71.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.259 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.485 ' NE2' HG22 ' A' ' 34' ' ' THR . 1.1 mt-30 -77.79 -42.18 34.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.511 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 27' ' ' LEU . 93.2 mt -62.72 -37.68 87.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 178.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.78 -57.99 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.53 -44.39 97.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.003 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.96 -45.98 85.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.201 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.487 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 14.8 t -65.13 -42.82 93.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 110.362 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.6 m -62.75 -44.14 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 40' ' ' ASP . 47.4 mm -65.95 -39.48 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 177.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -56.56 -39.54 73.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.285 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 42' ' ' SER . 22.6 mm-40 -68.22 -35.78 78.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.441 178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 t -62.41 -41.93 99.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 109.785 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.5 mmm -57.44 -50.22 73.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.807 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 95.3 t -58.22 -48.51 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.315 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -58.46 -36.28 73.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -73.19 -37.79 66.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 109.967 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.37 -29.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.0 mm-40 -54.37 -45.7 72.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.924 0.393 . . . . 0.0 110.507 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -81.71 -26.94 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 tp -55.91 -48.97 74.7 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.885 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.82 8.98 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.572 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.57 -34.54 9.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -91.03 -4.67 56.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.387 175.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 44.99 90.17 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.386 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -115.02 9.25 15.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -64.11 105.59 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.538 0.685 . . . . 0.0 110.384 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -138.46 150.78 67.53 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.248 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.11 -29.76 13.07 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.362 2.708 . . . . 0.0 113.215 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.91 -47.03 86.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.864 0.364 . . . . 0.0 110.975 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 13.3 mptt -65.13 -41.66 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 109.525 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HG ' ' HB2' ' A' ' 10' ' ' TRP . 1.5 mp -66.53 -28.19 68.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.178 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -47.94 58.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 176.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.37 -33.95 73.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 85.2 mt -83.73 10.9 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.934 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -102.41 -54.1 2.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.402 ' HA ' ' CD2' ' A' ' 123' ' ' LEU . 41.7 mtm -63.06 -60.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.856 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.466 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -68.86 -25.4 64.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.284 -175.505 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.99 -50.92 68.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.19 89.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.427 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.516 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 3.7 p -70.4 -37.88 74.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.3 m -63.08 -41.4 99.42 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.714 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.3 mtm -68.03 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -63.02 -44.74 95.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.289 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 75' ' ' SER . 37.0 mt-10 -63.49 -29.76 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.328 0.585 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.8 mt -72.1 -44.56 65.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.001 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.28 -18.16 65.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.869 0.366 . . . . 0.0 111.091 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.8 t -76.89 81.94 3.45 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.774 0.797 . . . . 0.0 110.216 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.16 -3.51 49.23 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.085 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.92 -50.49 35.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.449 170.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -114.9 72.85 0.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.983 174.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.38 -96.74 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.908 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.16 30.81 13.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.741 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -158.67 52.51 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 94' ' ' THR . 1.8 tm? -55.69 -34.3 64.94 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.691 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -54.91 -38.79 68.07 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.228 0.537 . . . . 0.0 110.756 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -77.43 -40.79 42.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.286 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 55.3 mtpt -65.44 -49.07 70.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.302 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 90' ' ' LEU . 11.0 t -63.24 -30.33 71.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.417 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.9 m -82.1 -22.35 36.31 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.282 0.563 . . . . 0.0 110.677 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 10.8 t -64.48 -49.6 70.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.87 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG22 ' SD ' ' A' ' 101' ' ' MET . 73.6 mt -53.41 -48.94 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.316 -177.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.03 88.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.811 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.8 m -71.58 -39.36 70.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.57 84.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.348 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.48 ' SD ' HG22 ' A' ' 97' ' ' ILE . 15.5 mtp -63.12 -46.92 85.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.979 178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -56.92 -50.13 73.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.303 0.573 . . . . 0.0 110.027 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.2 t30 -62.57 -42.16 99.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.425 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.34 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.697 0.284 . . . . 0.0 111.727 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.421 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 4.8 t80 -65.38 -34.83 79.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.584 0.707 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 103' ' ' ASN . 29.8 mt -63.89 -36.27 83.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.919 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 49.5 mm-40 -85.9 -6.24 59.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.724 -174.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 p -106.61 -52.38 2.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.017 0.437 . . . . 0.0 110.969 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.2 p -98.56 -32.21 11.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.456 -175.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -5.67 69.21 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.421 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 15.7 t -117.14 157.06 18.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.0 127.86 71.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.971 0.415 . . . . 0.0 110.41 174.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -102.18 93.65 5.33 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.558 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.1 tp60 -70.95 -49.91 12.7 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.779 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 3.2 Cg_exo -41.16 -50.41 4.33 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 123.482 2.788 . . . . 0.0 113.4 176.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -68.44 -36.27 78.79 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.181 0.515 . . . . 0.0 109.991 -174.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.8 mt -68.0 -42.24 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.1 m-20 -61.5 -33.71 74.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.09 -44.4 65.75 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.611 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.6 mp -61.55 -45.76 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.9 p -59.01 -36.35 74.79 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 15.0 mm100 -59.48 -42.51 92.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.218 0.532 . . . . 0.0 110.462 177.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 10.4 mp -76.39 -40.1 51.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.814 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.3 t -56.76 -62.49 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.152 0.501 . . . . 0.0 110.892 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.2 m -61.05 -20.7 62.87 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.116 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.2 ttp -88.32 -53.31 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.463 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 22.2 m-85 -73.96 -20.64 60.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.675 -175.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.469 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . -65.5 -44.45 86.98 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.408 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.01 -56.11 7.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.09 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 57.67 5.71 0.36 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.557 ' O ' ' HB ' ' A' ' 135' ' ' VAL . . . 105.57 45.6 1.3 Allowed Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.212 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.0 mtt -52.18 -42.68 63.66 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 122.865 0.466 . . . . 0.0 111.717 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.12 109.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.9 t0 61.31 63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.932 0.872 . . . . 0.0 111.313 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 131' ' ' GLY . 9.9 p -124.8 -0.91 5.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.103 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 m -86.22 83.98 7.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.618 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.779 178.601 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -151.85 145.4 24.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.38 61.04 2.16 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.768 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -82.81 -38.89 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.051 0.453 . . . . 0.0 110.37 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -93.97 168.5 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.015 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -65.59 133.1 50.45 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 110.176 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -68.64 109.91 4.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.513 -172.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.445 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -121.01 138.19 27.53 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' HG22 ' A' ' 8' ' ' THR . 30.5 Cg_endo -64.13 -20.0 66.78 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.817 2.345 . . . . 0.0 113.428 -177.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -91.63 7.24 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -70.89 -62.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.457 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' OD1' ' HD2' ' A' ' 13' ' ' PRO . 8.8 t30 -103.29 130.73 23.05 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-O 121.407 0.622 . . . . 0.0 109.88 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD2' ' OD1' ' A' ' 12' ' ' ASN . 13.8 Cg_endo -60.33 -31.57 92.98 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.234 2.622 . . . . 0.0 111.065 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.38 -33.28 77.04 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.727 175.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.52 -49.84 44.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.98 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -58.84 -53.17 61.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.676 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -66.99 -31.44 72.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -60.71 -52.29 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.51 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.95 -35.08 79.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 15.0 m-80 -63.63 -52.26 61.61 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.616 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -64.77 -33.03 75.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.009 0.433 . . . . 0.0 110.579 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.6 -48.76 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.681 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.6 mmt -76.25 -11.99 60.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.237 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 98.4 mt-30 -75.76 -31.22 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.143 0.497 . . . . 0.0 109.928 174.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.74 -39.8 5.15 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.276 177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -58.61 -37.94 76.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.713 0.292 . . . . 0.0 110.931 -176.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 p -70.49 -11.32 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.754 0.311 . . . . 0.0 111.754 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m -100.19 -0.58 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.008 0.433 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -96.55 118.78 64.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.34 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.97 123.78 10.71 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.243 1.962 . . . . 0.0 111.606 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.78 -30.13 0.92 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -111.05 141.94 43.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.724 0.297 . . . . 0.0 110.678 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 t -89.3 164.49 14.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.48 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -65.55 -57.61 7.78 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.504 0.193 . . . . 0.0 110.594 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.02 -35.78 75.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.732 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 27' ' ' LEU . 11.5 tp -58.51 -49.36 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.162 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -62.51 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.21 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.6 m-20 -64.81 -43.84 91.82 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.518 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.0 ttm -61.37 -41.34 96.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.194 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 38.0 t -62.35 -40.67 97.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.067 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m -65.44 -43.56 90.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.005 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.8 mm -66.46 -36.21 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.313 0.578 . . . . 0.0 110.033 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -58.55 -40.33 82.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.125 174.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 42' ' ' SER . 26.0 mm-40 -67.08 -34.11 76.94 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.006 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -61.71 -44.44 96.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.873 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.0 mmm -61.14 -47.79 84.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.7 t -57.09 -52.35 57.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.004 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.55 -33.85 75.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.409 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 21.2 t -67.0 -37.06 83.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.9 mt -77.34 -30.45 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.7 mm-40 -54.07 -42.15 68.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.006 0.431 . . . . 0.0 110.438 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -85.5 -32.24 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.668 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' SER . 13.4 tp -59.42 -51.15 71.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.082 -177.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.96 0.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.774 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.08 -33.23 8.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -82.41 -25.72 33.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 14.65 63.54 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -84.62 81.44 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.066 0.46 . . . . 0.0 111.574 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -132.58 156.44 46.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.983 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.507 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 t -172.95 144.11 1.17 Allowed Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.68 -43.28 46.73 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.861 2.374 . . . . 0.0 112.056 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -74.11 -35.59 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.155 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HG2' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -74.23 -32.3 62.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.733 -177.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.6 mm? -69.65 -34.91 74.67 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 173.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.555 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 21.9 tt0 -65.61 -38.9 90.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.912 173.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.82 94.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.2 -32.05 73.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.397 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.555 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 16.3 t-20 -59.57 -57.07 14.53 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.007 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.6 mtm -64.35 -42.19 96.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.062 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -61.66 -44.05 97.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.31 -48.03 83.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.577 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.84 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.696 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 11.3 p -66.14 -35.62 80.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.888 -176.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.627 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 66.8 mtm -70.41 -34.68 72.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.911 0.386 . . . . 0.0 110.25 176.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 124' ' ' VAL . . . -60.7 -34.78 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.218 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 75' ' ' SER . 51.2 mt-10 -62.74 -39.95 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.443 0.64 . . . . 0.0 110.696 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.7 mt -75.45 -40.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.531 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.17 -20.23 64.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.876 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.27 -11.66 60.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.5 t -87.63 81.82 7.59 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.709 0.766 . . . . 0.0 109.69 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HB3' ' HA2' ' A' ' 88' ' ' GLY . 34.8 mt-10 -76.04 -2.83 32.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.827 175.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -49.97 -43.86 50.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.423 174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.25 2.22 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.173 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.85 -59.09 2.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.371 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 84' ' ' GLU . . . 103.47 174.32 26.05 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.4 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t 72.21 112.57 0.06 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.586 0.754 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.62 -29.36 24.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.741 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 t -60.8 -31.99 71.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.139 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.4 m -82.62 -27.89 31.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 0.0 111.063 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -71.92 -35.25 69.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.48 -174.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.5 p -62.02 -48.59 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 111.228 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.6 m -69.46 -27.01 64.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.886 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.0 t -61.71 -53.63 53.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -42.48 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.4 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.56 92.71 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 p -69.96 -44.12 70.14 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.285 0.564 . . . . 0.0 110.29 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.71 90.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.908 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.686 ' SD ' HG12 ' A' ' 117' ' ' ILE . 20.4 ttm -63.51 -45.26 91.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 39.5 t -58.54 -39.63 80.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.037 177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.8 t30 -68.14 -38.04 81.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.861 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.87 68.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.917 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' HD2' ' O ' ' A' ' 111' ' ' VAL . 3.3 t80 -66.54 -28.74 68.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 0.0 109.484 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 102' ' ' SER . 11.5 tp -62.01 -25.49 67.68 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.792 176.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 57.8 mm-40 -94.34 -16.83 23.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.5 p -97.6 -34.73 10.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.973 0.416 . . . . 0.0 111.091 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.7 p -121.24 -38.21 2.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.127 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.56 -11.08 39.02 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.467 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 20.1 t -121.05 158.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.36 132.32 56.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.659 0.266 . . . . 0.0 110.883 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.05 104.07 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 109.853 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.542 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 28.3 tp60 -67.54 -54.97 15.85 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.568 -176.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -52.92 -40.79 74.63 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.865 2.377 . . . . 0.0 114.668 -170.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.2 -37.59 72.11 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.507 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.686 HG12 ' SD ' ' A' ' 101' ' ' MET . 4.8 mt -63.9 -37.89 80.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.422 . . . . 0.0 109.92 177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.587 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 5.9 m-20 -55.02 -50.07 69.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.614 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 41.8 mt-10 -68.36 -52.17 36.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.615 -177.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -54.68 -48.77 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.8 p -58.7 -43.71 90.12 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.4 mm-40 -63.81 -38.36 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 110.387 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 55.1 mt -74.63 -31.68 62.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.821 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 120' ' ' ILE . 89.7 t -62.52 -50.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.017 0.437 . . . . 0.0 110.005 174.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -63.89 -22.49 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.541 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.1 ttm -88.22 -64.74 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.607 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.67 -16.82 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.792 -170.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.09 76.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.276 0.56 . . . . 0.0 110.484 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -78.08 2.65 17.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -104.34 -0.69 27.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.139 0.495 . . . . 0.0 110.276 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.532 ' HA2' ' OG ' ' A' ' 136' ' ' SER . . . -117.29 -12.67 8.05 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 67.0 mtt -73.19 -28.48 62.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.301 0.572 . . . . 0.0 110.677 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -107.92 157.05 18.53 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.937 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -74.17 86.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.861 0.839 . . . . 0.0 110.676 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -151.25 12.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.532 ' OG ' ' HA2' ' A' ' 131' ' ' GLY . 3.7 m -94.55 29.47 2.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.596 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.725 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -103.01 169.62 8.46 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.55 88.46 0.62 Allowed Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -81.49 -71.94 0.45 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -135.31 138.86 43.84 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.521 -173.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -67.14 111.37 3.87 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 171.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -57.56 130.76 47.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.805 0.812 . . . . 0.0 112.387 -170.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 1.7 m -106.51 143.9 27.93 Favored Pre-proline 0 N--CA 1.444 -0.734 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.12 174.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 13.5 Cg_endo -56.54 -16.08 17.62 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.769 2.313 . . . . 0.0 113.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -95.39 12.79 27.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.192 -175.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -71.34 -72.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.95 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -94.6 133.4 26.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.418 -176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.81 -46.48 31.86 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.988 2.459 . . . . 0.0 112.47 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.85 -38.89 94.71 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.15 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.56 -61.02 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.99 68.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.355 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.37 -45.5 87.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.351 . . . . 0.0 110.729 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.05 -31.6 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.523 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.02 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.013 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.499 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.3 OUTLIER -59.81 -37.94 80.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.423 176.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 3.2 m-20 -60.04 -53.2 60.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.164 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -69.04 -26.64 65.08 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.211 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HD2' ' SD ' ' A' ' 24' ' ' MET . 64.5 t80 -59.54 -56.21 24.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.531 ' SD ' ' HD2' ' A' ' 23' ' ' PHE . 64.0 mmm -64.03 -33.16 75.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.863 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 79.1 mt-30 -58.42 -40.34 82.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.398 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.08 -32.05 13.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -64.97 -36.43 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' HD21 ' A' ' 38' ' ' LEU . 13.7 p -67.78 -11.53 58.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.898 0.38 . . . . 0.0 111.423 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 m -97.31 -4.59 38.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.662 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.439 ' HE1' ' HB3' ' A' ' 99' ' ' SER . 53.9 mtt -94.98 129.79 34.68 Favored Pre-proline 0 N--CA 1.45 -0.438 0 CA-C-O 121.074 0.464 . . . . 0.0 111.466 -174.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.96 126.2 9.19 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.644 2.229 . . . . 0.0 111.888 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.48 -57.83 0.41 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.633 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 98.7 m-85 -87.71 148.11 24.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.626 HG22 ' HG2' ' A' ' 37' ' ' GLN . 7.8 t -94.67 168.5 10.8 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.79 65.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 111.256 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -60.81 -41.68 96.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 34' ' ' THR . 7.0 mm100 -69.64 -34.93 74.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.407 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 28' ' ' SER . 9.8 mp -63.2 -41.28 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.706 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -63.5 -45.76 89.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.978 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 44' ' ' ILE . 1.1 m-20 -67.16 -44.55 79.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.613 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.7 ttm -63.61 -41.26 98.32 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 31.1 t -61.08 -41.84 97.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.958 0.409 . . . . 0.0 110.2 178.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 m -62.39 -43.6 98.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.95 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 40' ' ' ASP . 43.6 mm -66.22 -38.61 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.16 0.505 . . . . 0.0 110.051 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.76 -38.29 75.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.421 176.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 42' ' ' SER . 28.6 mm-40 -63.42 -38.18 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.443 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.3 t -65.68 -40.97 92.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.085 0.469 . . . . 0.0 109.736 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 92.1 mmm -59.85 -49.4 77.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.471 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 85.9 t -59.44 -47.68 89.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.958 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -63.8 -31.49 72.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.608 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -66.89 -46.13 75.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.161 0.505 . . . . 0.0 109.801 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.04 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.656 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.4 mm-40 -53.88 -45.96 71.21 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 110.058 174.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -65.91 -47.74 73.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.8 mt -57.66 -38.03 74.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.4 60.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.705 0.288 . . . . 0.0 111.645 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.7 -31.85 19.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' HB2' HE21 ' A' ' 58' ' ' GLN . 18.3 mt-30 -80.26 -15.32 57.22 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.811 177.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.35 45.24 48.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.156 -0.545 . . . . 0.0 111.973 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -124.85 14.69 8.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.77 0.319 . . . . 0.0 111.337 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.9 121.45 22.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.008 0.433 . . . . 0.0 110.758 177.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.5 t -153.05 152.76 28.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.757 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' OG ' ' A' ' 62' ' ' SER . 10.6 Cg_endo -54.61 -41.6 75.96 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.701 2.268 . . . . 0.0 112.479 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -78.14 -6.02 53.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.22 0.533 . . . . 0.0 110.837 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 62' ' ' SER . 2.6 tpmt? -89.99 -49.68 6.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.301 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 62' ' ' SER . 55.6 mt -68.1 -27.63 66.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.75 -174.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -56.77 -33.36 66.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.889 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.49 -39.15 74.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.678 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.09 -30.78 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -56.94 -55.88 28.89 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.045 0.45 . . . . 0.0 110.153 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 68.3 mtm -62.49 -44.0 97.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.288 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.23 -46.5 88.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.101 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -57.95 -48.33 80.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.03 71.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.779 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -71.03 -27.77 63.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.1 m -68.06 -41.61 81.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 0.0 110.425 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 65.6 mtm -73.4 -26.98 61.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.104 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.442 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -60.02 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.389 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.27 -26.38 67.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.301 0.572 . . . . 0.0 110.533 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.98 -42.04 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.86 -19.98 65.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.592 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 132' ' ' MET . . . -62.92 -22.91 67.09 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.912 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 15.6 t -84.98 88.02 7.41 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.803 0.811 . . . . 0.0 109.28 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.55 -20.31 63.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.646 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.46 104.67 3.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.566 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.26 2.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.364 -0.922 . . . . 0.0 113.338 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.31 -109.9 0.51 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.785 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.35 164.87 51.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.689 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p -81.34 -176.63 6.1 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.503 HD22 ' HE1' ' A' ' 132' ' ' MET . 64.4 tp -54.58 -40.7 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.532 175.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 t -52.53 -39.85 61.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.733 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -80.02 -38.84 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.253 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 36.9 mtmm -82.2 -39.84 22.57 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -170.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 90' ' ' LEU . 13.4 t -65.5 -32.05 73.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.966 -0.459 . . . . 0.0 111.544 -174.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 m -78.5 -27.94 46.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 110.816 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.4 t -58.89 -45.75 89.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.305 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.618 HG22 ' SD ' ' A' ' 101' ' ' MET . 61.3 mt -57.03 -46.07 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -63.5 -35.13 79.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.474 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.439 ' HB3' ' HE1' ' A' ' 30' ' ' MET . 32.9 t -68.47 -39.98 81.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -36.96 79.37 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.736 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.618 ' SD ' HG22 ' A' ' 97' ' ' ILE . 30.5 mtp -66.22 -47.14 74.79 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.512 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 t -59.41 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.144 177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.629 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.1 t30 -56.8 -39.39 74.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.359 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.8 -44.07 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.566 0.222 . . . . 0.0 111.081 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 26.4 m-85 -60.21 -38.34 83.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 175.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 102' ' ' SER . 60.6 mt -63.01 -28.03 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.944 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 47.4 mm-40 -90.81 -31.6 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.322 . . . . 0.0 111.026 -177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 p -89.88 -39.1 13.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -173.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.4 p -120.66 -37.09 3.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 111.183 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.67 -3.84 61.24 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.539 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.2 t -120.46 147.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.76 111.6 24.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 0.0 110.271 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.451 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.0 t-20 -80.87 75.46 7.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 24.8 tp60 -58.5 -49.18 94.91 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.865 -174.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.1 Cg_endo -50.95 -42.89 50.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.519 2.146 . . . . 0.0 113.17 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.429 ' O ' HD13 ' A' ' 120' ' ' ILE . 66.8 m-85 -89.08 8.99 27.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.714 -177.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' ASN . 15.8 mt -103.36 -40.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 0.0 110.107 173.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 93.3 m-20 -56.51 -43.24 79.55 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.984 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 123' ' ' LEU . 31.2 mt-10 -68.52 -35.93 78.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.35 -174.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.8 mp -61.52 -52.67 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.703 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -59.76 -43.17 94.43 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -176.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.8 mm-40 -61.6 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.513 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -75.02 -38.84 61.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.644 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 120' ' ' ILE . 72.4 t -57.24 -56.49 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.671 0.272 . . . . 0.0 110.351 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -59.71 -36.26 76.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.876 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 57.3 ttp -73.38 -53.68 10.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.421 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -70.34 -26.03 63.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 132' ' ' MET . . . -63.57 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.24 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.51 ' HA ' ' HG2' ' A' ' 132' ' ' MET . 78.0 mt-30 -67.92 -17.09 64.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.199 -176.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.28 -0.09 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.273 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -117.1 -24.4 3.58 Favored Glycine 0 CA--C 1.508 -0.359 0 C-N-CA 120.23 -0.986 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 129' ' ' GLN . 19.6 ptp -83.64 -28.03 28.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.085 -0.558 . . . . 0.0 110.41 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -145.03 163.45 34.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.403 175.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.81 96.12 8.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.567 0.698 . . . . 0.0 110.9 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.58 27.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.585 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -84.19 11.21 8.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.792 -173.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.291 178.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -61.87 147.18 47.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.939 0.399 . . . . 0.0 111.11 178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.09 -75.18 0.18 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -177.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -150.95 -9.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 0.0 110.726 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -68.11 112.49 5.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.901 0.381 . . . . 0.0 110.642 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -124.57 121.6 35.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -74.34 104.06 4.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.252 0.549 . . . . 0.0 110.607 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.4 m -132.9 138.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.427 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 34.2 Cg_endo -65.73 -11.07 29.05 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 123.018 2.479 . . . . 0.0 113.961 -175.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -105.38 12.99 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.427 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -72.82 -46.77 51.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.005 0.431 . . . . 0.0 111.583 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -126.46 139.71 35.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.605 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.61 -41.61 67.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.975 2.45 . . . . 0.0 112.468 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.16 92.14 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.082 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' CD1' ' HB ' ' A' ' 108' ' ' THR . 52.2 tp -62.52 -40.63 97.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.01 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.943 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 18' ' ' ASN . 1.5 pt-20 -66.34 -38.49 87.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.125 -177.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.502 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 40.2 m-80 -71.28 -32.79 69.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.737 0.303 . . . . 0.0 110.701 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.06 -50.98 68.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.18 -40.16 96.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.82 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -53.3 -60.68 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 176.296 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -67.03 -27.01 67.05 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.088 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.7 t80 -58.65 -48.42 81.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.118 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.494 ' HA ' ' HE2' ' A' ' 24' ' ' MET . 0.7 OUTLIER -68.0 -37.5 81.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.902 -179.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 13.9 mm100 -56.61 -37.26 70.43 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.537 0.523 . . . . 0.0 110.987 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -31.38 12.44 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.297 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.87 -32.57 74.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.269 . . . . 0.0 110.738 -177.232 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 p -71.25 -15.53 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.437 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -92.53 -3.47 55.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.063 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -91.24 128.13 48.47 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.65 -0.95 11.0 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 122.86 2.374 . . . . 0.0 112.116 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.14 -26.2 66.94 Favored Glycine 0 C--N 1.312 -0.761 0 CA-C-N 114.506 -1.225 . . . . 0.0 112.909 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -130.49 153.7 48.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.082 0.441 . . . . 0.0 111.041 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 11.7 t -100.18 172.68 7.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.918 178.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.68 79.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 t -63.63 -35.78 81.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.376 0.607 . . . . 0.0 110.305 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 41' ' ' MET . 63.4 mt-30 -77.21 -29.25 54.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.362 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 34' ' ' THR . 82.2 mt -64.82 -42.78 94.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.197 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.8 -36.6 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.814 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' O ' HG12 ' A' ' 44' ' ' ILE . 5.8 t70 -69.09 -46.06 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 26.1 mmt -50.36 -50.7 50.54 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.987 174.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.2 m -60.11 -39.07 84.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.9 m -66.75 -40.13 88.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.764 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 40' ' ' ASP . 44.9 mm -65.58 -41.79 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 0.0 109.766 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -55.26 -41.32 72.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.546 176.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 42' ' ' SER . 23.5 mm-40 -62.79 -36.2 82.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.62 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -61.32 -38.89 88.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.9 mtp -75.94 -48.72 20.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 98.1 t -56.67 -47.63 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.526 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.45 -37.36 83.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 111.279 -178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 30.8 m -72.86 -36.83 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.997 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -69.36 -29.26 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.778 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 83.5 mm-40 -57.58 -45.23 85.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.271 0.558 . . . . 0.0 109.714 174.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -68.52 -38.84 81.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 51' ' ' SER . 87.1 mt -61.37 -35.62 77.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.688 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.96 -18.02 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.87 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.61 -39.62 8.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.214 0.53 . . . . 0.0 109.648 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.29 -29.01 61.45 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.93 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.21 40.21 34.73 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.302 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -124.55 21.45 8.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.731 -0.234 . . . . 0.0 111.123 -175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 1.2 m -53.18 -57.3 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.571 0.544 . . . . 0.0 110.5 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.547 ' O ' HD22 ' A' ' 66' ' ' LEU . 96.9 p 50.4 165.28 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.7 0 C-N-CA 124.454 1.101 . . . . 0.0 113.253 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.43 -11.9 22.69 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.679 1.586 . . . . 0.0 110.677 170.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -70.78 -51.33 27.72 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 61' ' ' THR . 14.1 mptt -61.86 -44.16 97.38 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.011 0.434 . . . . 0.0 109.855 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -61.57 -30.01 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.047 -178.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.11 -48.88 49.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.212 173.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.0 79.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.161 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 86.5 mt -76.38 -2.94 34.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.65 -44.24 13.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.3 mtm -79.85 -55.2 5.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.576 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -61.21 -34.97 75.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.871 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -58.87 -53.21 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.958 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.97 82.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.694 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 p -69.28 -26.12 64.59 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -65.06 -45.47 85.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.575 0.226 . . . . 0.0 110.827 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.405 ' HE2' ' HB2' ' A' ' 77' ' ' MET . 3.8 mpp? -70.74 -31.03 67.72 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.231 175.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.69 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.88 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.03 -50.05 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.05 -46.09 94.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.82 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' ' HD3' ' A' ' 93' ' ' LYS . . . -67.98 -37.34 81.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.396 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 -2.77 46.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.01 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -72.88 -20.72 61.04 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -177.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 56.25 91.38 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.148 -175.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -158.1 151.65 23.49 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.99 -70.14 2.97 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.991 176.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.26 168.53 23.27 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.16 126.23 0.49 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.567 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -78.92 -176.98 5.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.897 0.379 . . . . 0.0 110.429 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.41 -30.5 71.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.353 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -62.52 -30.95 71.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.77 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -82.68 -44.63 15.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.249 0.547 . . . . 0.0 110.257 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.481 ' HD3' ' HB1' ' A' ' 81' ' ' ALA . 44.5 mttp -64.06 -41.21 97.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.552 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 p -59.83 -50.97 71.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 111.641 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -63.72 -33.91 76.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.0 m -59.44 -47.13 86.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.591 HG22 ' SD ' ' A' ' 101' ' ' MET . 56.6 mt -63.63 -51.64 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -61.41 -36.31 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.948 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.7 t -66.12 -40.84 91.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.61 -35.75 73.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.602 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.591 ' SD ' HG22 ' A' ' 97' ' ' ILE . 27.1 mtp -65.25 -46.88 78.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.199 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 106' ' ' LEU . 36.4 t -59.48 -47.36 85.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.986 177.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.638 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 20.0 t30 -62.31 -40.23 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.206 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.4 77.11 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 113' ' ' ASN . 2.5 t80 -66.3 -30.33 70.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.613 0.72 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 102' ' ' SER . 10.1 tp -63.78 -29.38 70.59 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.201 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 59.5 mm-40 -91.59 -17.97 24.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -176.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 15' ' ' LEU . 4.2 p -94.13 -61.54 1.51 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.937 -173.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 t -108.56 -4.69 16.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.964 0.412 . . . . 0.0 110.912 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.06 2.97 90.71 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.381 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.3 t -122.69 153.7 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.7 t -101.29 110.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.489 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.499 ' O ' HG13 ' A' ' 117' ' ' ILE . 44.3 t-20 -85.19 80.88 9.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.43 0.634 . . . . 0.0 109.476 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.61 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 26.1 tp60 -65.82 -44.53 63.25 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 112.783 -177.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 2.0 Cg_endo -47.34 -49.56 12.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.724 2.283 . . . . 0.0 113.224 177.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -68.77 -32.18 71.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 113' ' ' ASN . 33.1 mt -64.53 -36.89 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.484 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -67.89 -29.45 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.457 ' O ' HD13 ' A' ' 123' ' ' LEU . 38.5 mt-10 -70.27 -53.2 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.264 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 124' ' ' VAL . 1.7 mp -58.39 -50.39 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.523 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 7.5 p -55.91 -47.39 77.56 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -174.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -64.67 -41.02 96.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 119' ' ' GLU . 10.6 mp -68.6 -38.06 80.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.274 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 120' ' ' ILE . 76.6 t -55.45 -53.46 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.029 0.443 . . . . 0.0 110.02 176.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 t -62.98 -48.28 79.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.818 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.544 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -72.21 -26.53 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 132' ' ' MET . . . -68.33 -53.49 23.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -62.96 -32.02 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.282 -178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.68 -8.65 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.212 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -102.25 -28.07 6.61 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 128' ' ' ALA . 66.6 mtt -65.44 -39.69 92.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.22 136.11 54.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.397 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.34 83.85 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 110.295 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.9 p -114.78 4.51 7.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.181 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.4 m 57.27 31.83 20.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.422 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.869 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 -178.192 . . . . . . . . 0 0 . 1 stop_ save_